SCHEMBL7608339

SCHEMBL7608339

CCC(O)CCc1csc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.42
MMP12 P39900 1/20 0.34
FFAR1 O14842 5/20 0.34
ALOX5 P09917 2/20 0.33
MAOB P27338 4/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PPARD Q03181 1/20 0.32
MRGPRX4 Q96LA9 2/20 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
SCHEMBL7606366 0.86 VDR (0.44) VDRMMP12FFAR1ALOX5MAOB
SCHEMBL7608528 0.82 FFAR1 (0.43) VDRFFAR1FFAR4
SCHEMBL7605318 0.82 VDR (0.41) VDRFFAR1ALOX5PPARD
SCHEMBL7610505 0.82 VDR (0.43) VDRFFAR1FFAR4PPARD
SCHEMBL7604645 0.81 VDR (0.42) VDRFFAR1ALOX5MAOBFFAR4
SCHEMBL7605154 0.81 FFAR1 (0.50) VDRFFAR1
SCHEMBL7608336 0.81 VDR (0.42) VDRFFAR1ALOX5MRGPRX4
SCHEMBL7612371 0.80 VDR (0.43) VDRMMP12FFAR1MAOBFFAR4
SCHEMBL7606751 0.78 VDR (0.37) VDRMMP12FFAR1
SCHEMBL6564905 0.78 VDR (0.51) VDRFFAR1ALOX5MAOBMRGPRX4

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