SCHEMBL7327601

SCHEMBL7327601

COC(=O)COc1ccc(C(=O)CBr)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
APP P05067 1/20 0.49
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7407172 0.94 KMT2A (0.50) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL7462216 0.88 ALDH1A1 (0.60) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL7335355 0.86 HTT (0.51) MAPTTSHRPOLBL3MBTL1HIF1A
SCHEMBL29620831 0.85 TSHR (0.63) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL426444 0.85 TSHR (0.63) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL11658983 0.84 KMT2A (0.74) KMT2AMEN1TSHRALDH1A1L3MBTL1
SCHEMBL9203255 0.82 MEN1 (0.54) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL11661983 0.81 ALDH1A1 (0.62) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL7358969 0.81 KMT2A (0.67) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL2009931 0.80 ALDH1A1 (0.50) KMT2AMEN1TSHRALDH1A1POLB

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 13 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
US-4105790-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US disclosed