SCHEMBL1387741

SCHEMBL1387741

O=[C][CH]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ARG2 P78540 1/20 0.40
CALM1 P0DP23 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
TOP1 P11387 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
TSHR P16473 3/20 0.36
TRPA1 O75762 2/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1387882 0.76 ESR1 (0.44) CA2TRPA1IDO1ALDH1A1MIF
SCHEMBL145088 0.76 MAOB (0.61) MAOBCA1CA2ARG2CALM1
SCHEMBL334261 0.76 MAOB (0.61) MAOBCA1CA2ARG2CALM1
SCHEMBL261253 0.76 MAOB (0.61) MAOBCA1CA2ARG2CALM1
SCHEMBL874613 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL11587355 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL57808 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
Allylbenzene SCHEMBL27301319 0.73 MAOB (0.50) MAOBCA1CA2ARG2CALM1
Phenylacetaldehyde SCHEMBL31725265 0.73
Phenylacetaldehyde SCHEMBL3319438 0.73 MAOB (0.63) MAOBCA1CA2ARG2CALM1

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

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08509967-A 1996-10-22 JP claimed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
CN-109925312-A For treating the composition, preparation and method of eye disease 爱尔皮奥治疗有限公司 2019-06-25 CN disclosed
CN-105307498-B Compositions, formulations and methods for treating ocular diseases 爱尔皮奥治疗有限公司 2019-04-16 CN disclosed
CN-108289964-A Novel linkers and their use for specific coupling of drugs and biomolecules 苏州美康加生物科技有限公司 2018-07-17 CN disclosed
CN-106562962-A Composition and method for treating ocular edema, neovascularization and related disease 爱尔皮奥治疗有限公司 2017-04-19 CN disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed