SCHEMBL7778148

SCHEMBL7778148

O=CCc1cccc(CCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.43
DAO P14920 1/20 0.38
NOS1 P29475 2/20 0.35
CYP2D6 P10635 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.34
XIAP P98170 2/20 0.34
CYP19A1 P11511 1/20 0.33
CALM1 P0DP23 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRB2 P07550 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6756665 0.79 VDR (0.47) VDRDAOXIAPCYP19A1
SCHEMBL4664442 0.79 EGFR (0.38) VDREGFRKDM4EALDH1A1
SCHEMBL7778339 0.77 F2 (0.46) VDR
SCHEMBL7778248 0.77 FFAR1 (0.36) VDR
SCHEMBL13377220 0.76 MAOB (0.52) XIAPCYP19A1ALDH1A1HPGDHSD17B10
SCHEMBL6157330 0.75 VDR (0.50) VDRLMNA
SCHEMBL12345478 0.75 MAOB (0.39) NOS1CYP2D6NOS3NOS2LMNA
SCHEMBL18095254 0.75 CYP4A11 (0.47) NOS1CYP2D6NOS3NOS2LMNA
SCHEMBL19248505 0.73 MAPT (0.37) VDRLMNAEGFRKDM4EALDH1A1
SCHEMBL3280099 0.72 VDR (0.53) VDRALDH1A1HPGD

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-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed