SCHEMBL5482260

SCHEMBL5482260

Cc1cccc(C)c1NC(=O)c1cccc(CCC(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S1PR4 O95977 3/20 0.49
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX7 Q99572 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL5485489 0.84 TYK2 (0.48) THRBSMN1; SMN2MAPTHPGDP2RX7
SCHEMBL613225 0.84 SMN1; SMN2 (0.52) THRBSMN1; SMN2S1PR4TP53ALDH1A1
SCHEMBL10279349 0.79 SMN1; SMN2 (0.53) THRBSMN1; SMN2S1PR4TP53ALDH1A1
SCHEMBL6989374 0.76 PARP1 (0.50) MAPTHSD17B10CYP3A4CYP2C19PARP1
SCHEMBL23582699 0.76 CYP4F2 (0.69) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9789598 0.75 ALDH1A1 (0.68) THRBSMN1; SMN2S1PR4ALDH1A1KDM4E
SCHEMBL3053513 0.73 TAAR1 (0.58) THRBALDH1A1KDM4EPARP1
SCHEMBL5483225 0.73 USP2 (0.60) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4138460 0.72 POLB (0.67) SMN1; SMN2S1PR4KDM4EMAPTHPGD
SCHEMBL10279353 0.72 GRM5 (0.60) THRBSMN1; SMN2S1PR4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP claimed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO claimed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed