SCHEMBL7608528

SCHEMBL7608528

CCC(O)CCc1cc(C)c(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.43
FFAR4 Q5NUL3 1/20 0.43
VDR P11473 2/20 0.42

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
SCHEMBL7610505 0.89 VDR (0.43) FFAR1FFAR4VDR
SCHEMBL7606366 0.88 VDR (0.44) FFAR1FFAR4VDR
SCHEMBL7604645 0.87 VDR (0.42) FFAR1FFAR4VDR
SCHEMBL7611578 0.85 VDR (0.43) FFAR1FFAR4VDR
SCHEMBL7607829 0.84 FFAR1 (0.33) FFAR1FFAR4VDR
SCHEMBL7605318 0.83 VDR (0.41) FFAR1VDR
SCHEMBL7608339 0.82 VDR (0.42) FFAR1FFAR4VDR
SCHEMBL7606371 0.82 FFAR1 (0.47) FFAR1FFAR4VDR
SCHEMBL7608523 0.82 VDR (0.41) FFAR1FFAR4VDR
SCHEMBL7605154 0.81 FFAR1 (0.50) FFAR1VDR

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