SCHEMBL8440834

SCHEMBL8440834

COc1ccc(CSC2CC(=O)N2CC(=O)NCCCCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.44
CNR1 P21554 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL8443344 0.92 LMNA (0.46) KMT2APOLBALDH1A1MEN1
SCHEMBL8440358 0.91 PLA2G7 (0.44) KMT2APOLBALDH1A1MEN1FPR2
SCHEMBL8443114 0.90 KMT2A (0.47) KMT2APOLBALDH1A1MEN1ATM
SCHEMBL8439155 0.89 PLAAT3 (0.47) KMT2APOLBALDH1A1
SCHEMBL8438577 0.89 PLAAT3 (0.47) KMT2APOLBALDH1A1
SCHEMBL8438842 0.89 PLAAT3 (0.47) KMT2APOLBALDH1A1
SCHEMBL8440368 0.89 PLAAT3 (0.47) KMT2APOLBALDH1A1
SCHEMBL8590720 0.84 MAPT (0.43) ALDH1A1
SCHEMBL8591631 0.84 HRH3 (0.40) POLBALDH1A1
SCHEMBL8440280 0.83 TRPV1 (0.50) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
US-5885931-A GLYCOSIDE, ETHOXYLATED ALKYLAMINE, POLYOXYALKYLENE ALKYLPHENOL PHOSPHORIC ACID ESTER, GLYCOL, WATER IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-03-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
EP-0299654-B1 COMPOSITION AND USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-27 EP disclosed
EP-0299654-A2 Composition and use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP disclosed