SCHEMBL689748

SCHEMBL689748

CCC(Oc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
MGLL Q99685 4/20 0.45
FOLH1 Q04609 1/20 0.44
GPR34 Q9UPC5 1/20 0.43
FFAR1 O14842 1/20 0.43
MCHR1 Q99705 1/20 0.42
FABP4 P15090 1/20 0.42

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
SCHEMBL6296853 0.89 PPARG (0.58) SMN1; SMN2PPARGPPARAMGLLFOLH1
SCHEMBL12646435 0.83 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAMGLL
SCHEMBL5159161 0.80 SMN1; SMN2 (0.48) SMN1; SMN2PPARGPPARAFABP4
SCHEMBL4277047 0.79 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARA
SCHEMBL18668875 0.79 GSK3B (0.48)
SCHEMBL4651839 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARA
SCHEMBL295888 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARA
SCHEMBL2556069 0.79 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARAFOLH1
SCHEMBL8935652 0.78 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARAFOLH1FABP4
SCHEMBL826322 0.78 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARAFOLH1FABP4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed