SCHEMBL7607761

SCHEMBL7607761

CCC(CCO)c1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.45
FFAR1 O14842 12/20 0.37
PDGFRA P16234 1/20 0.32
S1PR1 P21453 1/20 0.32
ROCK1 Q13464 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL7606174 0.93 VDR (0.53) VDRFFAR1PDGFRAS1PR1ROCK1
SCHEMBL7610926 0.90 VDR (0.42) VDRFFAR1PDGFRAS1PR1ROCK1
SCHEMBL7610503 0.90 VDR (0.42) VDRFFAR1
SCHEMBL7607682 0.90 VDR (0.44) VDRFFAR1
SCHEMBL7647330 0.90 FFAR1 (0.44) VDRFFAR1
SCHEMBL7611575 0.89 VDR (0.41) VDRFFAR1PDGFRAS1PR1ROCK1
SCHEMBL7610502 0.86 VDR (0.42) VDRFFAR1
SCHEMBL7615200 0.85 VDR (0.52) VDR
SCHEMBL7606369 0.84 FFAR1 (0.43) VDRFFAR1
SCHEMBL7606748 0.82 VDR (0.35) VDRFFAR1

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 4 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
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