SCHEMBL4714705

SCHEMBL4714705

COCCN(C(=O)OCc1ccccc1)c1ccc(Oc2ccc(CCC(=O)O)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.45
FFAR4 Q5NUL3 3/20 0.45
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OXTR P30559 1/20 0.41
OPRK1 P41145 2/20 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
SCHEMBL3129071 0.91 OXTR (0.41) ACACBACACAOPRM1OPRD1OXTR
SCHEMBL4714704 0.74 ACACB (0.47) FFAR1FFAR4ACACBACACAOPRM1
SCHEMBL3142882 0.69 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL3143620 0.67 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL1747433 0.67 FFAR1 (0.94) FFAR1FFAR4
SCHEMBL7417057 0.66 LTA4H (0.46) FFAR1FFAR4
SCHEMBL550514 0.66 MEN1 (0.47) OXTR
SCHEMBL3134853 0.65 NPC1 (0.48) ACACBACACAOPRM1OPRD1OPRK1
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.65 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL1744939 0.65 FFAR1 (1.00) FFAR1FFAR4

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-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed