SCHEMBL8443344

SCHEMBL8443344

COc1ccc(CCCCCCNC(=O)CN2C(=O)CC2SCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
ASAH1 Q13510 4/20 0.44
SLC6A5 Q9Y345 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL8440358 0.92 PLA2G7 (0.44) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL8440834 0.92 KMT2A (0.47) ALDH1A1MEN1KMT2APOLB
SCHEMBL27495124 0.92 TRPV1 (0.50) LMNAALDH1A1KMT2AASAH1
SCHEMBL27476952 0.92 TRPV1 (0.50) LMNAALDH1A1KMT2AASAH1
SCHEMBL8440276 0.92 TRPV1 (0.50) LMNAALDH1A1KMT2AASAH1
SCHEMBL8441268 0.92 TRPV1 (0.50) LMNAALDH1A1KMT2AASAH1
SCHEMBL8440280 0.92 TRPV1 (0.50) LMNAALDH1A1KMT2AASAH1
SCHEMBL8442701 0.91 TRPV1 (0.48) LMNAALDH1A1KMT2AASAH1
SCHEMBL8442245 0.89 LMNA (0.47) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL8441910 0.89 TRPV1 (0.55) LMNAALDH1A1KMT2ASLC6A5

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP 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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed