SCHEMBL7328232

SCHEMBL7328232

COC(=O)COc1ccc(CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARA Q07869 1/20 0.49
PPARD Q03181 1/20 0.48
PTPN1 P18031 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
F2RL1 P55085 1/20 0.45

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
SCHEMBL1431250 0.90 CYP4A11 (0.57) CYP4F2CYP4A11PTGS2ALDH1A1CYP2C9
SCHEMBL10805292 0.86 PPARD (0.58) PTGS2ALDH1A1CYP2C9CYP2C19PPARA
SCHEMBL8481490 0.86 PTGS2 (0.53) CYP4F2CYP4A11PTGS2ALDH1A1CYP2C9
SCHEMBL4262134 0.86 ADRB2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL4267917 0.86 PTGS2 (0.55) PTGS2ALDH1A1CYP2C9CYP2C19PPARA
SCHEMBL2116437 0.85 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
Ammonia Solution, Strong SCHEMBL9652495 0.85 PPARD (0.57) PTGS2ALDH1A1CYP2C9CYP2C19PPARA
SCHEMBL7201519 0.85 TAAR1 (0.55) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL10119179 0.84 PTGS2 (0.57) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL9826805 0.84 KCNH2 (0.48) CYP4F2CYP4A11PTGS2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP 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
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO 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