SCHEMBL7335258

SCHEMBL7335258

CCOC(=O)Cc1ccc(C(=O)CCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP4Z1 Q86W10 1/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
GSK3B P49841 2/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 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
SCHEMBL8335707 0.87 MAPT (0.49) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL15955709 0.86 KMT2A (0.60) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL5913041 0.84 CYP4F2 (0.64) THRATHRBKMT2AMAPTLMNA
SCHEMBL68851 0.84 CYP4Z1 (0.62) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL392939 0.83 GSK3B (0.55) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
Methane SCHEMBL6325038 0.83 NPC1 (0.49) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL7326535 0.83 CYP4F2 (0.56) THRATHRBKMT2AMAPTLMNA
SCHEMBL8149524 0.82 MAPT (0.55) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
Hydrochloric Acid SCHEMBL11655187 0.82 LMNA (0.50) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL6393097 0.81 ALDH1A1 (0.57) THRBKMT2AMAPTLMNASMN1; 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 14 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
US-3978071-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1976-08-31 US disclosed