SCHEMBL8772459

SCHEMBL8772459

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.46
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8441699 0.89 TRPV1 (0.47) GAAPOLBLMNAMEN1KMT2A
SCHEMBL8108451 0.87 HTT (0.49) HTTGAASMN1; SMN2POLBLMNA
SCHEMBL8108405 0.87 HTT (0.49) HTTGAASMN1; SMN2POLBLMNA
SCHEMBL8094760 0.87 HTT (0.49) HTTGAASMN1; SMN2POLBLMNA
SCHEMBL8438562 0.86 P2RX7 (0.57)
SCHEMBL8772522 0.85 TRPV1 (0.46) GAALMNAKMT2ATSHRHPGD
SCHEMBL8440093 0.85 ITGB1 (0.39) GAAPOLBITGB1ITGA5KMT2A
SCHEMBL8772503 0.85 TRPV1 (0.48) GAALMNAKMT2ATSHRHPGD
SCHEMBL8438732 0.85 TRPV1 (0.48) GAALMNAKMT2ATSHRHPGD
SCHEMBL8442084 0.85 TRPV1 (0.48) GAALMNAKMT2ATSHRHPGD

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
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN disclosed