SCHEMBL8680210

SCHEMBL8680210

O=C(OCO)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3B P49841 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL6063284 0.89 ESR1 (0.52) GAAALDH1A1MEN1KMT2ANPSR1
SCHEMBL811579 0.84 GAA (0.66) GAAALDH1A1MEN1KMT2ACES2
SCHEMBL10376725 0.83 GSK3B (0.57) GAAALDH1A1MEN1KMT2ACES2
SCHEMBL8680201 0.83 GAA (0.54) GAAALDH1A1MEN1KMT2ACES2
SCHEMBL8679315 0.83 GAA (0.54) GAAALDH1A1MEN1KMT2ACES2
Cyclohexane SCHEMBL574083 0.82 RAB9A (0.49) ALDH1A1MEN1KMT2ANPSR1NPC1
SCHEMBL14787328 0.82 ESR1 (0.47) GAAALDH1A1MEN1KMT2ANPSR1
SCHEMBL203843 0.81 CA12 (0.68) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL811573 0.81 GAA (0.72) GAAALDH1A1MEN1KMT2ACES2
SCHEMBL6964934 0.81 GAA (0.53) GAAALDH1A1MEN1KMT2ACES2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 EP disclosed
EP-0542411-B1 TETRAHYDROTHIENOPYRIDINE DERIVATIVES, FURO AND PYRROLO ANALOGS THEREOF AND THEIR PREPARATION AND USES FOR INHIBITING BLOOD PLATELET AGGREGATION SANKYO CO (JP) 1998-08-12 EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed