SCHEMBL5829475

SCHEMBL5829475

CCC(NCc1ccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTPN1 P18031 7/20 0.36
FAAH O00519 2/20 0.35
PTPN2 P17706 1/20 0.35
CDC25B P30305 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL3450971 0.81 FFAR1 (0.55) FFAR1CYP4F2CYP4A11
SCHEMBL1745058 0.76 FFAR1 (0.61) FFAR1
SCHEMBL3451333 0.75 FFAR1 (0.48) FFAR1
SCHEMBL1745485 0.75 FFAR1 (0.53) FFAR1PTPN1PTPRB
SCHEMBL5585376 0.71 PTPN1 (0.46) FFAR1PTPN1PTPN2CDC25B
SCHEMBL1745450 0.70 PTPRB (0.44) PTPRB
SCHEMBL1633610 0.69 FFAR1 (1.00) FFAR1
SCHEMBL3452079 0.69 FFAR1 (0.70) FFAR1
SCHEMBL4788448 0.67 FFAR1 (0.61) FFAR1
SCHEMBL14378539 0.67 FFAR1 (0.61) FFAR1

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-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP disclosed