SCHEMBL7606751

SCHEMBL7606751

CCC(O)CCc1ccc(-c2cc(COc3ccc(CO)c(CO)c3)cs2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.37
FFAR1 O14842 4/20 0.33
MMP12 P39900 1/20 0.32
GYS1 P13807 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
PDGFRA P16234 1/20 0.31
ROCK1 Q13464 1/20 0.31
ADRB3 P13945 1/20 0.31
STAT3 P40763 1/20 0.30

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
SCHEMBL7612371 0.91 VDR (0.43) VDRFFAR1MMP12ADRB3STAT3
SCHEMBL7647800 0.87 VDR (0.39) VDRS1PR1S1PR5STAT3
SCHEMBL7610479 0.84 VDR (0.35) VDRFFAR1GYS1S1PR1S1PR5
SCHEMBL7607763 0.82 VDR (0.46) VDRFFAR1GYS1S1PR1S1PR5
SCHEMBL7610506 0.82 VDR (0.43) VDRFFAR1MMP12GYS1
SCHEMBL7606371 0.82 FFAR1 (0.47) VDRFFAR1
SCHEMBL7606177 0.82 VDR (0.54) VDRFFAR1MMP12GYS1S1PR1
SCHEMBL7606746 0.81 VDR (0.35) VDRFFAR1
SCHEMBL7610505 0.79 VDR (0.43) VDRFFAR1
SCHEMBL7607689 0.79 VDR (0.44) VDRFFAR1S1PR1S1PR5PDGFRA

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 claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed