SCHEMBL6563025

SCHEMBL6563025

CCC(O)(CC)c1ccc(-c2cccc(COc3ccc(CO)c(CO)c3)c2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.58
FFAR1 O14842 16/20 0.45
FFAR4 Q5NUL3 2/20 0.42
NR1H4 Q96RI1 1/20 0.39
PPARD Q03181 1/20 0.39

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 0.92 VDR (0.61) VDRFFAR1FFAR4
SCHEMBL6562993 0.87 VDR (0.65) VDRFFAR1FFAR4
SCHEMBL6564192 0.83 VDR (0.68) VDRFFAR1PPARD
SCHEMBL27568017 0.83 VDR (0.42) VDRFFAR1FFAR4NR1H4PPARD
SCHEMBL6563016 0.82 VDR (0.80) VDRFFAR1
SCHEMBL6566401 0.82 FFAR1 (0.51) VDRFFAR1FFAR4NR1H4PPARD
SCHEMBL6565020 0.81 VDR (0.48) VDRFFAR1FFAR4
SCHEMBL6564106 0.81 VDR (0.58) VDRFFAR1
SCHEMBL6566504 0.80 VDR (0.50) VDR
SCHEMBL6564145 0.80 VDR (0.55) VDRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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