SCHEMBL7778326

SCHEMBL7778326

CCC(O)(CC)CCCCC(C)c1ccccc1OCc1ccc(CO)c(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.38
ATM Q13315 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PPARG P37231 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL7777000 0.98 VDR (0.39) VDRATMNISCHKDM4EL3MBTL1
SCHEMBL7777202 0.89 VDR (0.35) VDRATMNISCHMRGPRX4PPARG
SCHEMBL6155609 0.81 VDR (0.48) VDR
SCHEMBL6155503 0.80 VDR (0.47) VDR
SCHEMBL6155463 0.79 VDR (0.44) VDRL3MBTL1MRGPRX4
SCHEMBL2785501 0.78 VDR (0.49) VDR
SCHEMBL7776993 0.75 VDR (0.39) VDRL3MBTL1MRGPRX4
SCHEMBL7778336 0.75 VDR (0.39) VDRL3MBTL1MRGPRX4
SCHEMBL2106606 0.74 VDR (0.43) VDRMRGPRX4
SCHEMBL6158285 0.70 VDR (0.49) VDRL3MBTL1PPARG

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