SCHEMBL7605318

SCHEMBL7605318

CCC(O)CCc1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.41
FYN P06241 3/20 0.35
ALOX5 P09917 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 2/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA7 P36544 3/20 0.33
CHRNA4 P43681 3/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAPT P10636 1/20 0.33

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 0.87 VDR (0.44) VDRALOX5FFAR1PPARD
SCHEMBL7608528 0.83 FFAR1 (0.43) VDRFFAR1
SCHEMBL7610505 0.82 VDR (0.43) VDRFFAR1PPARD
SCHEMBL7604645 0.82 VDR (0.42) VDRALOX5FFAR1PPARDPPARA
SCHEMBL7608339 0.82 VDR (0.42) VDRALOX5FFAR1PPARD
SCHEMBL7605313 0.82 VDR (0.40) VDRFYNALOX5FFAR1CYP4F2
SCHEMBL7605154 0.80 FFAR1 (0.50) VDRFFAR1NR1H2NR1H3
SCHEMBL6564937 0.78 VDR (0.52) VDRFYNALOX5PPARDPPARA
SCHEMBL7606371 0.76 FFAR1 (0.47) VDRFFAR1PPARD
SCHEMBL7610930 0.76 VDR (0.45) VDRFFAR1PPARD

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