SCHEMBL7611575

SCHEMBL7611575

CCC(CCO)c1cc(C)c(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.41
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
PDGFRA P16234 1/20 0.33
ROCK1 Q13464 1/20 0.33
FFAR1 O14842 9/20 0.32
PPARD Q03181 4/20 0.32
MAOB P27338 3/20 0.31
ACHE P22303 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ALB P02768 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7607761 0.89 VDR (0.45) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL7610926 0.89 VDR (0.42) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL7608523 0.85 VDR (0.41) VDRFFAR1FFAR4
SCHEMBL7606174 0.84 VDR (0.53) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL7647330 0.83 FFAR1 (0.44) VDRFFAR1
SCHEMBL7610503 0.82 VDR (0.42) VDRFFAR1FFAR4
SCHEMBL7613344 0.82 RXRA (0.34) VDRFFAR1
SCHEMBL7611578 0.82 VDR (0.43) VDRS1PR1S1PR5PDGFRAROCK1
SCHEMBL7607682 0.81 VDR (0.44) VDRFFAR1
SCHEMBL7610502 0.79 VDR (0.42) VDRFFAR1FFAR4

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 disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed