SCHEMBL7358969

SCHEMBL7358969

CCC(=O)c1ccc(OCC(=O)OC)c(OCC(=O)OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.47
HMGCR P04035 2/20 0.47
TSHR P16473 2/20 0.45
IGF1R P08069 1/20 0.44

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 0.86 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL7361563 0.84 KMT2A (0.65) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7358912 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL11686093 0.82 MEN1 (0.62) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL7327601 0.81 KMT2A (0.58) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL4668902 0.80 MEN1 (0.89) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL7333688 0.79 MAPT (0.59) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20328569 0.78 CA12 (0.67) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL11658983 0.78 KMT2A (0.74) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15202688 0.78 MAPK1 (0.67) KMT2AMEN1ALDH1A1POLBTDP1

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