SCHEMBL6563016

SCHEMBL6563016

CCc1ccc(OCc2ccc(CO)c(CO)c2)cc1-c1ccc(C(O)(CC)CC)cc1C

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.80
S1PR1 P21453 3/20 0.34
S1PR5 Q9H228 3/20 0.34
PDGFRA P16234 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRKD3 O94806 1/20 0.34
CDK7 P50613 1/20 0.34
JAK3 P52333 1/20 0.34
TNK2 Q07912 1/20 0.34
MAOB P27338 9/20 0.33
FFAR1 O14842 3/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 2/20 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
SCHEMBL2854911 0.93 VDR (0.88) VDRMAOBALOX5MAOA
SCHEMBL6564192 0.93 VDR (0.68) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL6564164 0.90 VDR (0.77) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL229168 0.89 VDR (1.00) VDRS1PR1S1PR5MAOBFFAR1
SCHEMBL6564865 0.89 VDR (0.64) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL6564116 0.89 VDR (0.64) VDRS1PR1FFAR1
SCHEMBL6562993 0.88 VDR (0.65) VDRMAOBFFAR1ALOX5
SCHEMBL2857595 0.88 VDR (0.74) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL27587253 0.86 VDR (0.60) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL6564928 0.85 VDR (0.64) VDRS1PR1S1PR5PDGFRAROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
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