SCHEMBL7605313

SCHEMBL7605313

CCC(CCO)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.40
FYN P06241 3/20 0.35
FFAR1 O14842 3/20 0.35
ALOX5 P09917 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
DHODH Q02127 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
GPR132 Q9UNW8 1/20 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
SCHEMBL7606363 0.87 VDR (0.43) VDRFFAR1ALOX5MRGPRX4
SCHEMBL7610502 0.83 VDR (0.42) VDRFFAR1
SCHEMBL7608523 0.82 VDR (0.41) VDRFFAR1
SCHEMBL7605318 0.82 VDR (0.41) VDRFYNFFAR1ALOX5CYP4F2
SCHEMBL7608336 0.81 VDR (0.42) VDRFFAR1ALOX5MRGPRX4
SCHEMBL7605149 0.80 FFAR1 (0.53) VDRFFAR1
SCHEMBL7604643 0.79 VDR (0.42) VDRFFAR1ALOX5MRGPRX4
SCHEMBL6564937 0.77 VDR (0.52) VDRFYNALOX5CYP4F2CYP4A11
SCHEMBL7610926 0.76 VDR (0.42) VDRFFAR1
SCHEMBL7605392 0.76 FFAR1 (0.41) VDRFFAR1

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