SCHEMBL8772447

SCHEMBL8772447

COc1ccc(CCCCCCNC(=O)CN2C(=O)CC2[S+]([O-])Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ASAH1 Q13510 4/20 0.43
SLC6A5 Q9Y345 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 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
SCHEMBL8443006 0.92 POLB (0.41) LMNAALDH1A1NPC1POLB
SCHEMBL8443150 0.92 KMT2A (0.45) ALDH1A1MEN1KMT2APOLB
SCHEMBL8442084 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL27493521 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL27515042 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL8772503 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL27495125 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL8438732 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL27515045 0.92 TRPV1 (0.48) LMNAASAH1ALDH1A1KMT2A
SCHEMBL8772522 0.91 TRPV1 (0.46) LMNAASAH1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed