SCHEMBL8440358

SCHEMBL8440358

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FPR2 P25090 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL8440834 0.91 KMT2A (0.47) POLBALDH1A1MEN1KMT2AFPR2
SCHEMBL8443487 0.89 KMT2A (0.48) PLA2G7POLBALDH1A1MEN1KMT2A
SCHEMBL8438730 0.87 PLA2G7 (0.45) PLA2G7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8104179 0.86 PLA2G7 (0.42) PLA2G7ALDH1A1LMNAKDM4ETDP1
SCHEMBL8592738 0.85 PLA2G7 (0.41) PLA2G7POLBALDH1A1LMNAKDM4E
SCHEMBL8094721 0.83 PLA2G7 (0.43) PLA2G7ALDH1A1MEN1KMT2ALMNA
SCHEMBL8440280 0.83 TRPV1 (0.50) ALDH1A1KMT2ALMNA
SCHEMBL8441268 0.83 TRPV1 (0.50) ALDH1A1KMT2ALMNA
SCHEMBL8440276 0.83 TRPV1 (0.50) ALDH1A1KMT2ALMNA

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 5 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
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