SCHEMBL4617119

SCHEMBL4617119

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2cc[c]c(CO)c2)ccc1CC

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.75
S1PR1 P21453 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
SCHEMBL229168 0.86 VDR (1.00) VDRS1PR1
SCHEMBL4888601 0.84 VDR (0.92) VDRS1PR1
SCHEMBL27587233 0.81 VDR (0.48) VDR
SCHEMBL15060109 0.80 VDR (0.49) VDR
SCHEMBL2854911 0.80 VDR (0.88) VDR
SCHEMBL1074550 0.79 VDR (0.74) VDR
SCHEMBL2890399 0.79 VDR (0.73) VDR
SCHEMBL27568056 0.78 VDR (0.44) VDR
SCHEMBL2641441 0.77 VDR (0.84) VDRS1PR1
SCHEMBL3832679 0.77 VDR (0.84) VDRS1PR1

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-1893237-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE Galderma Research & Development (FR) 2008-03-05 EP disclosed
WO-2006134272-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-12-21 WO disclosed