SCHEMBL97552

SCHEMBL97552

CC([C]=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SRC P12931 2/20 0.41
THRB P10828 1/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL3151083 1.00 MIF (0.41) MIFTAAR1SRCTHRBCYP2D6
SCHEMBL8711629 1.00 MIF (0.41) MIFTAAR1SRCTHRBCYP2D6
SCHEMBL11034906 0.86 PTGS2 (0.53) ALDH1A1
SCHEMBL10585660 0.86 TYR (0.35)
SCHEMBL11835373 0.80 ALDH1A1 (0.52) LMNAHIF1AKDM4EALDH1A1
SCHEMBL10801272 0.78 SMN1; SMN2 (0.38) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL9303811 0.78 MIF (0.44) MIFTAAR1CYP2D6ADRA2AADRA2C
SCHEMBL2867417 0.78 MIF (0.44) MIFTAAR1CYP2D6ADRA2AADRA2C
SCHEMBL911297 0.77 CHRNA7 (0.41) LMNAALDH1A1ALOX5
SCHEMBL4831620 0.77 CHRNA7 (0.41) LMNAALDH1A1ALOX5

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 5234 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
CN-117700304-A Preparation method and application of cannabidiol 卡那比生物科学有限公司 2024-03-15 CN claimed
EP-3921319-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP claimed
CN-117264004-A Compound and nucleic acid synthesis method 深圳华大生命科学研究院 2023-12-22 CN claimed
CN-116675685-A Pyridine-containing bisoxazolidone compound and synthetic method and application thereof 东北农业大学 2023-09-01 CN claimed
US-20230257484-A1 DENDROBIUM OFFICINALE OLIGOSACCHARIDE, DENDROBIUM OFFICINALE OLIGOSACCHARIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF KUNMING INSTITUTE OF BOTANY, CHINESE ACADEMY OF SCIENCES (CN) 2023-08-17 US claimed
CN-116410411-A Cationic photocurable composition and application thereof 常州格林感光新材料有限公司 2023-07-11 CN claimed
CN-116199679-A Industrial preparation method of lamivudine 吉斯凯(苏州)制药有限公司 2023-06-02 CN claimed
US-20230167117-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2023-06-01 US claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
US-4260551-A ALIPHATIC OR AROMATIC ESTERS, ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-07 US claimed
US-4230698-A ANTITUMOR AGENTS, VIRICIDES, AND MICROBIOCIDES RESEARCH CORPORATION (US) 1980-10-28 US claimed
EP-0009898-A1 Novel anti-hypertensive mercaptoacylamino acid derivatives, their preparation and use UNIVERSITY OF MIAMI (US) 1980-04-16 EP claimed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US claimed
US-4175123-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1979-11-20 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-4082780-A ANTIESTROGEN DRUGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-04-04 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed