SCHEMBL7328151

SCHEMBL7328151

COC(=O)COc1ccc(C(C)=O)c(OCC(=O)OC)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARD Q03181 2/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 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
SCHEMBL7332880 0.94 KMT2A (0.51) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL11279104 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL11584099 0.89 MEN1 (0.54) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL10691616 0.87 PPARD (0.54) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL11274520 0.86 GAA (0.54) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL10684071 0.86 PPARD (0.63) ALDH1A1PPARDCYP3A4
SCHEMBL7329831 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL29349825 0.85 MEN1 (0.47) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL2013386 0.84 HPGD (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2PPARG
SCHEMBL10651243 0.84 HTT (0.48) ALDH1A1KMT2AMEN1HTTSMN1; SMN2

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 9 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
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