SCHEMBL6562993

SCHEMBL6562993

CCC(O)(CC)c1ccc(-c2ccc(OCc3ccc(CO)c(CO)c3)cc2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.65
FFAR1 O14842 8/20 0.39
PTGER4 P35408 3/20 0.36
FFAR4 Q5NUL3 5/20 0.36
MAOB P27338 1/20 0.35
GSTP1 P09211 2/20 0.34
ALOX5 P09917 1/20 0.34
NR4A2 P43354 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
SCHEMBL6562865 0.89 VDR (0.61) VDRFFAR1FFAR4MAOBNR4A2
SCHEMBL6564192 0.89 VDR (0.68) VDRFFAR1MAOBALOX5
SCHEMBL6563016 0.88 VDR (0.80) VDRFFAR1MAOBALOX5
SCHEMBL6564928 0.88 VDR (0.64) VDRFFAR1PTGER4FFAR4MAOB
SCHEMBL6563025 0.87 VDR (0.58) VDRFFAR1FFAR4
SCHEMBL6564865 0.85 VDR (0.64) VDRFFAR1MAOBNR4A2
SCHEMBL6564116 0.85 VDR (0.64) VDRFFAR1
SCHEMBL6564164 0.84 VDR (0.77) VDRFFAR1FFAR4MAOBALOX5
SCHEMBL2641441 0.82 VDR (0.84) VDRFFAR1FFAR4MAOB
SCHEMBL6566261 0.82 VDR (0.63) VDRFFAR1MAOBNR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed