SCHEMBL7648312

SCHEMBL7648312

CCC(CCO)c1ccc(-c2ccc(CCc3ccc(CO)c(CO)c3)s2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.38
ESR2 Q92731 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL7649262 0.86 VDR (0.38) VDR
SCHEMBL7647798 0.85 VDR (0.39) VDR
SCHEMBL7615200 0.83 VDR (0.52) VDR
SCHEMBL7648316 0.82 VDR (0.38) VDRESR2S1PR1S1PR5
SCHEMBL7611748 0.81 VDR (0.33) VDR
SCHEMBL6563023 0.77 VDR (0.61) VDRESR2S1PR1S1PR5
SCHEMBL7610503 0.73 VDR (0.42) VDR
SCHEMBL7606174 0.73 VDR (0.53) VDRS1PR1S1PR5
SCHEMBL7607761 0.72 VDR (0.45) VDRS1PR1S1PR5
SCHEMBL7606746 0.72 VDR (0.35) VDR

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