SCHEMBL7607689

SCHEMBL7607689

CCC(O)CCc1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C(C)(C)C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.44
FFAR1 O14842 13/20 0.37
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
PRKD3 O94806 1/20 0.31
CDK7 P50613 1/20 0.31
JAK3 P52333 1/20 0.31
TNK2 Q07912 1/20 0.31
PDGFRA P16234 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL7607763 0.89 VDR (0.46) VDRFFAR1S1PR1S1PR5PDGFRA
SCHEMBL7606177 0.89 VDR (0.54) VDRFFAR1S1PR1S1PR5PRKD3
SCHEMBL7610506 0.85 VDR (0.43) VDRFFAR1
SCHEMBL7607682 0.83 VDR (0.44) VDRFFAR1
SCHEMBL7610505 0.82 VDR (0.43) VDRFFAR1
SCHEMBL7611578 0.82 VDR (0.43) VDRFFAR1S1PR1S1PR5PDGFRA
SCHEMBL7605154 0.81 FFAR1 (0.50) VDRFFAR1
SCHEMBL7610930 0.81 VDR (0.45) VDRFFAR1
SCHEMBL7606371 0.81 FFAR1 (0.47) VDRFFAR1
SCHEMBL6564865 0.81 VDR (0.64) VDRFFAR1S1PR1S1PR5PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed