SCHEMBL7333337

SCHEMBL7333337

COC(=O)COc1ccc(C(=O)CBr)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7398995 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL7399586 0.85 MCL1 (0.59) HPGDMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL7334423 0.84 RXFP1 (0.49) L3MBTL1ALDH1A1HTTSMN1; SMN2GSK3B
SCHEMBL7329831 0.84 ALDH1A1 (0.52) HPGDMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL6635996 0.82 HTT (0.67) HPGDMAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL2009866 0.80 GSK3B (0.64) MAPTALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL584257 0.80 ATM (0.65) HPGDMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL30876366 0.79 ALDH1A1 (0.53) HPGDMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL19317367 0.79 ALDH1A1 (0.53) HPGDMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL5262015 0.78 THRA (0.51) L3MBTL1KDM4EHTTSMN1; SMN2GSK3B

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