SCHEMBL11458228

SCHEMBL11458228

Cc1ccc(S(=O)(=O)OC2CN(C3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]54)C3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
CDC25A P30304 3/20 0.53
POLA1 P09884 1/20 0.53
INPP5D Q92835 1/20 0.52
ST6GAL1 P15907 2/20 0.52
HPSE Q9Y251 8/20 0.49
FGF1 P05230 7/20 0.49
ATIC P31939 1/20 0.49
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.49
FGF2 P09038 6/20 0.48

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
SCHEMBL3135361 0.90 ST6GAL1 (0.63) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL23628425 0.90 ST6GAL1 (0.63) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL3135366 0.90 ST6GAL1 (0.63) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11109512 0.90 ST6GAL1 (0.63) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11470503 0.87 VDR (0.61) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11459523 0.87 VDR (0.61) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11459524 0.87 VDR (0.61) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL875405 0.83 CDC25A (0.62) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11469564 0.82 CYP2D6 (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D
SCHEMBL11458288 0.82 CYP2D6 (0.54) CYP2D6CYP2C19CDC25APOLA1INPP5D

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
US-4183923-A 3-ALKANESULFONYLOXYAZETIDINES SCHERING CORPORATION (US) 1980-01-15 US disclosed