SCHEMBL6566261

SCHEMBL6566261

CCC(O)(CC)c1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C)c(C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.63
FFAR1 O14842 11/20 0.36
MAOB P27338 2/20 0.35
NR4A2 P43354 2/20 0.32
NR4A1 P22736 1/20 0.32
NR4A3 Q92570 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 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
SCHEMBL6564192 0.91 VDR (0.68) VDRFFAR1MAOB
SCHEMBL6564865 0.89 VDR (0.64) VDRFFAR1MAOBNR4A2NR4A1
SCHEMBL6564164 0.88 VDR (0.77) VDRFFAR1MAOB
SCHEMBL2641441 0.86 VDR (0.84) VDRFFAR1MAOB
SCHEMBL6564928 0.86 VDR (0.64) VDRFFAR1MAOB
SCHEMBL6566698 0.85 VDR (0.62) VDRFFAR1MAOB
SCHEMBL27568006 0.85 VDR (0.45) VDRFFAR1MAOBNR4A2NR4A1
SCHEMBL6564106 0.84 VDR (0.58) VDRFFAR1MAOBNR4A2NR4A1
SCHEMBL6563016 0.84 VDR (0.80) VDRFFAR1MAOB
SCHEMBL6564993 0.83 VDR (0.61) VDRFFAR1MAOB

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-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