SCHEMBL6566520

SCHEMBL6566520

CCC(c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c(C(C)(C)C)c1)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.47
VDR P11473 3/20 0.42
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PTGS2 P35354 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL7605149 0.85 FFAR1 (0.53) FFAR1VDRNR1H2NR1H3
SCHEMBL7605154 0.83 FFAR1 (0.50) FFAR1VDRNR1H2NR1H3
SCHEMBL6564106 0.79 VDR (0.58) FFAR1VDRNR1H2NR1H3
SCHEMBL6565081 0.76 VDR (0.43) FFAR1VDR
SCHEMBL6566235 0.76 VDR (0.43) FFAR1VDRPTGS2
SCHEMBL7610474 0.73 VDR (0.38) FFAR1VDRPTGS2
SCHEMBL7611585 0.73 VDR (0.42) FFAR1VDRPTGS2
SCHEMBL7610502 0.73 VDR (0.42) FFAR1VDRPTGS2
SCHEMBL7608820 0.73 VDR (0.43) FFAR1VDR
SCHEMBL2495554 0.72 FFAR1 (0.48) FFAR1PTGS2NR1H2NR1H3

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
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed