SCHEMBL8680764

SCHEMBL8680764

[NH]C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CES1 P23141 1/20 0.38
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL8746377 0.81 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL2442870 0.81 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL14935466 0.81 KCNN4 (0.45) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL9125726 0.80 CYP2C19 (0.41) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL6399298 0.79 KCNN4 (0.43) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL11069916 0.77 CYP1A2 (0.46) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL1096837 0.77 KCNN4 (0.47) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL8680769 0.77 MAPT (0.48) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL6475358 0.77 CYP2C19 (0.42) KCNN4CYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL8502722 0.77 KCNN4 (0.42) KCNN4CYP2C19HIF1ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019078171-A1 METHOD FOR CONCENTRATING OR SEPARATING POLYMER COMPOUND 国立大学法人京都大学 2019-04-25 WO disclosed
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-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 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
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0229011-A1 Trisubstituted triazoles CIBA-GEIGY AG (CH) 1987-07-15 EP disclosed