SCHEMBL8772512

SCHEMBL8772512

O=C(CCc1ccccc1)CN1C(=O)CC1[S+]([O-])Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HSD17B2 P37059 1/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL8772387 0.93 HMOX1 (0.40) POLBNPC1
SCHEMBL8440303 0.87 TP53 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8772384 0.85 MAPT (0.42)
SCHEMBL8443669 0.84 HMOX1 (0.40) MEN1KMT2APOLBNPC1GAA
SCHEMBL8442702 0.82 HMOX1 (0.38) NPC1LMNA
SCHEMBL8104046 0.82 HMOX1 (0.38) POLBNPC1GAA
SCHEMBL8772514 0.82 HCRTR1 (0.41) KMT2APOLBGAA
SCHEMBL8443653 0.81 KMT2A (0.46) MEN1KMT2ANPC1LMNA
SCHEMBL8102560 0.81 HMOX1 (0.40) POLBNPC1
SCHEMBL8772402 0.81 HTR2A (0.43) MEN1KMT2AGAA

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 1 patent. 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