SCHEMBL5331645

SCHEMBL5331645

Nc1cccc(C#Cc2ccc(OC3(C(=O)O)CC3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAP4K4 O95819 1/20 0.38
IKBKB O14920 1/20 0.38
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
ADRB2 P07550 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAPT P10636 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CRABP2 P29373 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL9611202 0.72 FFAR1 (0.59) FFAR1CSNK2A2CSNK2BCSNK2A1IKBKB
SCHEMBL5323680 0.72 FFAR1 (0.51) FFAR1MAP4K4MAPTCYP3A4
SCHEMBL29462452 0.71 MAPT (0.62) FFAR1ADRB2RAB9AL3MBTL1MAPT
SCHEMBL2811255 0.71 MAPT (0.62) FFAR1ADRB2RAB9AL3MBTL1MAPT
SCHEMBL17469614 0.70 APP (0.67) FFAR1L3MBTL1MAPTCYP3A4HCRTR1
SCHEMBL4970529 0.69 MAPT (0.67) FFAR1IKBKBADRB2RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL7919919 0.69 MAPT (0.60) FFAR1ADRB2RAB9AL3MBTL1MAPT
SCHEMBL9611201 0.69 MAPT (0.67) FFAR1IKBKBADRB2RAB9AL3MBTL1
SCHEMBL4968126 0.69 CYP3A4 (0.58) FFAR1CSNK2A2CSNK2BCSNK2A1IKBKB
SCHEMBL4343501 0.67 PTPN11 (0.58) FFAR1IKBKBPTPN11MAPT

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed