SCHEMBL7606646

SCHEMBL7606646

Cc1cc(CCCO)ccc1-c1cccc(COc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.51
FFAR4 Q5NUL3 2/20 0.47
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
VDR P11473 1/20 0.41

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
SCHEMBL7606371 0.85 FFAR1 (0.47) FFAR1FFAR4VDR
SCHEMBL6563025 0.80 VDR (0.58) FFAR1FFAR4VDR
SCHEMBL6566449 0.80 FFAR1 (0.48) FFAR1FFAR4VDR
SCHEMBL6566452 0.80 FFAR1 (0.48) FFAR1FFAR4VDR
SCHEMBL6566288 0.79 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL7606369 0.79 FFAR1 (0.43) FFAR1FFAR4VDR
SCHEMBL7608281 0.79 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL7610505 0.78 VDR (0.43) FFAR1FFAR4VDR
SCHEMBL7612585 0.77 VDR (0.44) FFAR1FFAR4VDR
SCHEMBL7614670 0.77 VDR (0.46) FFAR1FFAR4VDR

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