SCHEMBL7607763

SCHEMBL7607763

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.46
FFAR1 O14842 10/20 0.34
PPARD Q03181 5/20 0.33
FFAR4 Q5NUL3 2/20 0.33
GYS1 P13807 2/20 0.33
PDGFRA P16234 1/20 0.33
S1PR1 P21453 1/20 0.33
ROCK1 Q13464 1/20 0.33
S1PR5 Q9H228 1/20 0.33
STAT3 P40763 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
SCHEMBL7606177 0.93 VDR (0.54) VDRFFAR1PPARDFFAR4GYS1
SCHEMBL7611578 0.90 VDR (0.43) VDRFFAR1PPARDFFAR4PDGFRA
SCHEMBL7610930 0.90 VDR (0.45) VDRFFAR1PPARDFFAR4GYS1
SCHEMBL7610506 0.90 VDR (0.43) VDRFFAR1FFAR4GYS1
SCHEMBL7607689 0.89 VDR (0.44) VDRFFAR1PDGFRAS1PR1ROCK1
SCHEMBL7615205 0.87 VDR (0.52) VDRSTAT3
SCHEMBL7610505 0.86 VDR (0.43) VDRFFAR1PPARDFFAR4
SCHEMBL7606371 0.85 FFAR1 (0.47) VDRFFAR1PPARDFFAR4
SCHEMBL7606751 0.82 VDR (0.37) VDRFFAR1GYS1PDGFRAS1PR1
SCHEMBL7606753 0.82 VDR (0.35) VDRFFAR1FFAR4STAT3

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