SCHEMBL7606366

SCHEMBL7606366

CCC(O)CCc1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.44
MMP12 P39900 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
FFAR1 O14842 4/20 0.41
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC13A5 Q86YT5 2/20 0.39
MAOB P27338 2/20 0.38
NR4A2 P43354 1/20 0.38
FDFT1 P37268 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PPARD Q03181 1/20 0.37
ALOX5 P09917 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL7604645 0.91 VDR (0.42) VDRMRGPRX4FFAR1FFAR4MAOB
SCHEMBL7608528 0.88 FFAR1 (0.43) VDRFFAR1FFAR4
SCHEMBL7605318 0.87 VDR (0.41) VDRFFAR1PPARDALOX5
SCHEMBL7610505 0.87 VDR (0.43) VDRFFAR1FFAR4PRMT5WDR77
SCHEMBL7608339 0.86 VDR (0.42) VDRMMP12MRGPRX4FFAR1FFAR4
SCHEMBL7605154 0.84 FFAR1 (0.50) VDRFFAR1
SCHEMBL7610930 0.84 VDR (0.45) VDRMMP12FFAR1FFAR4PPARD
SCHEMBL7613338 0.82 VDR (0.44) VDRMRGPRX4FFAR1AKR1B1FFAR4
SCHEMBL7606363 0.82 VDR (0.43) VDRMRGPRX4FFAR1NR4A2ALOX5
SCHEMBL7612427 0.81 CD274 (0.40) FFAR1FFAR4

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