SCHEMBL7604645

SCHEMBL7604645

CCC(O)CCc1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.42
FFAR1 O14842 7/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 1/20 0.36
PPARD Q03181 2/20 0.36
ALOX5 P09917 1/20 0.36
PPARA Q07869 1/20 0.36
PTGER4 P35408 1/20 0.35
F9 P00740 2/20 0.35
F10 P00742 2/20 0.35

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 0.91 VDR (0.44) VDRFFAR1MRGPRX4FFAR4MAOB
SCHEMBL7608528 0.87 FFAR1 (0.43) VDRFFAR1FFAR4
SCHEMBL7610505 0.86 VDR (0.43) VDRFFAR1FFAR4PPARD
SCHEMBL7605318 0.82 VDR (0.41) VDRFFAR1PPARDALOX5PPARA
SCHEMBL7604643 0.82 VDR (0.42) VDRFFAR1MRGPRX4FFAR4MAOB
SCHEMBL7610930 0.81 VDR (0.45) VDRFFAR1FFAR4PPARD
SCHEMBL7608339 0.81 VDR (0.42) VDRFFAR1MRGPRX4FFAR4MAOB
SCHEMBL7605154 0.80 FFAR1 (0.50) VDRFFAR1
SCHEMBL7606371 0.79 FFAR1 (0.47) VDRFFAR1FFAR4PPARD
SCHEMBL7610506 0.79 VDR (0.43) VDRFFAR1FFAR4PTGER4

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 4 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
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