SCHEMBL6955701

SCHEMBL6955701

COC(=O)c1ccc(CC#N)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KMT2A Q03164 3/20 0.48
ELANE P08246 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B2 P37059 1/20 0.43
TSHR P16473 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30454091 0.88 MAPT (0.53) MAPTKMT2AELANECA1CA2
SCHEMBL4394154 0.88 MAPT (0.53) MAPTKMT2AELANECA1CA2
SCHEMBL5832326 0.87 CREBBP (0.44) MAPTKMT2ACA1CA2CA12
SCHEMBL5832851 0.86 CA12 (0.57) MAPTELANECA1CA2CA12
SCHEMBL6962075 0.85 ELANE (0.47) MAPTKMT2AELANECA1CA2
SCHEMBL23705054 0.83 CA1 (0.45) MAPTKMT2ACA1CA2CA12
SCHEMBL11849879 0.82 ELANE (0.45) MAPTKMT2AELANECA1CA2
SCHEMBL8429886 0.82 MAPT (0.60) MAPTKMT2ACA1CA2CA12
SCHEMBL19330876 0.82 ALDH1A1 (0.47) MAPTKMT2ACA1CA2CA12
SCHEMBL31161847 0.82 ALDH1A1 (0.47) MAPTKMT2ACA1CA2CA12

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
CN-106745722-A A kind of mobile tunnel type anaerobic pond support meanss and its method of work 徐州工程学院 2017-05-31 CN claimed
CN-106745722-B Mobile tunnel type anaerobic tank supporting device and working method thereof 徐州腾睿智能装备有限公司 2020-09-15 CN disclosed
CN-106745722-A A kind of mobile tunnel type anaerobic pond support meanss and its method of work 徐州工程学院 2017-05-31 CN disclosed
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed