SCHEMBL7328604

SCHEMBL7328604

CCOC(=O)COc1ccc(C(=O)CBr)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.43
GSK3B P49841 1/20 0.42
ABCB1 P08183 1/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2009931 0.90 ALDH1A1 (0.50) ESR1L3MBTL1ALDH1A1KDM4EKMT2A
Bromide SCHEMBL5787146 0.89 ALDH1A1 (0.49) ESR1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL6812958 0.88 ALDH1A1 (0.45) ESR1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL6813482 0.88 L3MBTL1 (0.52) ESR1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL6809954 0.88 GAA (0.50) ESR1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL6812575 0.88 NPSR1 (0.49) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7335355 0.87 HTT (0.51) L3MBTL1MAPTTAS1R3TAS1R1KDM4E
SCHEMBL7462216 0.86 ALDH1A1 (0.60) L3MBTL1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2012596 0.86 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2439155 0.84 KMT2A (0.57) ESR1L3MBTL1ALDH1A1MAPTTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 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