SCHEMBL20030

SCHEMBL20030

[c]1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.34
TSHR P16473 1/20 0.32
ALOX5 P09917 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27343450 0.98 ITGB2 (0.46) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL11748070 0.93 LMNA (0.54) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL27765909 0.91 ITGB2 (0.41) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL106413 0.91 ITGB2 (0.39) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL20662 0.85
SCHEMBL20741840 0.85 ITGB2 (0.34) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL27423032 0.83 ABCG2 (0.46) SMN1; SMN2MAPTGAATSHRABCG2
SCHEMBL20741878 0.81 ABCG2 (0.33) ABCG2
SCHEMBL4986425 0.81
SCHEMBL19640205 0.78 ABCG2 (0.41) ABCG2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 7115 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN claimed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN claimed
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US claimed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
CN-111757883-B Novel inhibitors of bacterial glutaminyl cyclase for the treatment of periodontal disease and related diseases 弗劳恩霍夫应用研究促进协会 2024-02-13 CN claimed
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 US claimed
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 US claimed
EP-0004793-B1 2-NITRO AMINOPYRIMIDONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE TO PREPARE 2-AMINOPYRIMIDONE DERIVATIVES WHICH HAVE HISTAMINE H2-ANTAGONIST ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-30 EP claimed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 EP claimed
US-4227000-A Intermediates in the process for making histamine antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US claimed
EP-0015138-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-03 EP claimed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US claimed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP claimed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO claimed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP claimed
EP-0004793-A2 2-nitro aminopyrimidone derivatives, a process for their preparation and their use to prepare 2-aminopyrimidone derivatives which have histamine H2-antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-17 EP claimed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP claimed