SCHEMBL6566698

SCHEMBL6566698

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.62
FFAR1 O14842 4/20 0.32
PPARD Q03181 2/20 0.32
S1PR1 P21453 5/20 0.32
S1PR5 Q9H228 3/20 0.32
PRKD3 O94806 1/20 0.32
CDK7 P50613 1/20 0.32
JAK3 P52333 1/20 0.32
TNK2 Q07912 1/20 0.32
PDGFRA P16234 1/20 0.32
ROCK1 Q13464 1/20 0.32
S1PR3 Q99500 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 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
SCHEMBL2857595 0.91 VDR (0.74) VDRFFAR1S1PR1S1PR5PRKD3
SCHEMBL27568064 0.90 VDR (0.51) VDRFFAR1PPARD
SCHEMBL6564192 0.90 VDR (0.68) VDRFFAR1PPARDS1PR1S1PR5
SCHEMBL6564524 0.88 VDR (0.47) VDRFFAR1PPARDS1PR1S1PR5
SCHEMBL6564164 0.87 VDR (0.77) VDRFFAR1PPARDS1PR1S1PR5
SCHEMBL2641441 0.85 VDR (0.84) VDRFFAR1PPARDS1PR1S1PR5
SCHEMBL6566261 0.85 VDR (0.63) VDRFFAR1MAOB
SCHEMBL27587368 0.85 VDR (0.44) VDRFFAR1PPARD
SCHEMBL6564928 0.85 VDR (0.64) VDRFFAR1PPARDS1PR1S1PR5
SCHEMBL6563016 0.83 VDR (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
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