SCHEMBL6528810

SCHEMBL6528810

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Oc3ccc(C(C)(C)C)cc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
EPOR P19235 2/20 0.48
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGES O14684 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 1/20 0.42
NR3C1 P04150 1/20 0.42
MEP1B Q16820 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 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
SCHEMBL6511831 0.90 FFAR1 (0.57) FFAR1FAAHTSHRHSD17B10PTGES
SCHEMBL6515065 0.90 TSHR (0.55) FFAR1EPORTSHRHSD17B10PTGES
SCHEMBL6509273 0.88 MEP1B (0.53) FFAR1FAAHTSHRHSD17B10PTGES
SCHEMBL6515378 0.87 FFAR1 (0.52) FFAR1TSHRHSD17B10PTGESFFAR4
SCHEMBL6507836 0.84 FFAR1 (0.49) FFAR1FAAHTSHRHSD17B10PTGES
SCHEMBL6510191 0.83 FFAR1 (0.52) FFAR1FAAHTSHRHSD17B10NR3C1
SCHEMBL6508226 0.80 CETP (0.52) FFAR1FFAR4NR3C1MEP1B
SCHEMBL6510780 0.80 TSHR (0.49) FFAR1EPORTSHRHSD17B10PTGES
SCHEMBL6512693 0.80 TSHR (0.49) FFAR1EPORTSHRHSD17B10PTGES
SCHEMBL6516580 0.79 CYP2D6 (0.50) FFAR1PPARGPPARAMEP1B

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed