SCHEMBL75634

SCHEMBL75634

O=C1COc2c[c]ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.47
PARP1 P09874 3/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.38
KIF11 P52732 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GAA P10253 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HPGD P15428 1/20 0.37
NR3C2 P08235 1/20 0.37

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
SCHEMBL533758 0.86 MMP12 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9195443 0.79 KDM4E (0.32) MMP12ALDH1A1KMT2AMAPT
SCHEMBL88746 0.73 MMP12 (0.58) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30293243 0.72 MMP12 (0.56) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6518631 0.72 MMP12 (0.56) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL852319 0.70 ALOX5 (0.46)
SCHEMBL2033180 0.69
SCHEMBL29546895 0.69 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18770365 0.69 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL443143 0.68 AHR (0.53) CYP11B1CYP11B2MAPTPDE3BPDE3A

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 2037 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO claimed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-10696662-B2 5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-06-30 US claimed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US claimed
US-20190055226-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
WO-1994027999-A1 BICYCLIC ETHER DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-12-08 WO claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
US-5298511-A Alkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-29 US claimed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 EP claimed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed