SCHEMBL6889121

SCHEMBL6889121

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.47
FFAR4 Q5NUL3 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
VDR P11473 1/20 0.42
PPARD Q03181 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL6566401 0.88 FFAR1 (0.51) FFAR1FFAR4NR1H4VDRPPARD
SCHEMBL6886230 0.83 FFAR1 (0.48) FFAR1FFAR4NR1H4PPARDMRGPRX4
SCHEMBL6563025 0.80 VDR (0.58) FFAR1FFAR4NR1H4VDRPPARD
SCHEMBL6888828 0.78 FFAR1 (0.43) FFAR1FFAR4NR1H4PPARD
SCHEMBL7115523 0.76 FFAR1 (0.45) FFAR1FFAR4MRGPRX4
SCHEMBL27568017 0.76 VDR (0.42) FFAR1FFAR4NR1H4VDRPPARD
SCHEMBL2024484 0.76 MAOB (0.58) FFAR1PPARD
SCHEMBL12641009 0.76 FFAR1 (0.57) FFAR1FFAR4PPARDMRGPRX4
SCHEMBL6562865 0.74 VDR (0.61) FFAR1FFAR4VDR
SCHEMBL6564943 0.71 FFAR1 (0.52) FFAR1FFAR4NR1H4PPARDMRGPRX4

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 1 patent. 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 disclosed