SCHEMBL4335247

SCHEMBL4335247

CC(C)OC(Cc1ccc(NC(=O)OCc2cc3ccccc3nc2Cl)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
SCN9A Q15858 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL4346300 0.88 FAAH (0.37) FAAHPPARGPPARACYP1A2CYP2D6
SCHEMBL6725080 0.88 PTPRF (0.40) FAAHPPARGPPARACYP1A2CYP2D6
SCHEMBL4333264 0.85 RXFP1 (0.38) FAAHPPARGPPARDPPARACYP1A2
SCHEMBL4328269 0.83 SCN9A (0.48) FAAHPPARGPPARDPPARASCN9A
SCHEMBL4341908 0.79 PPARG (0.47) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL4328778 0.79 GAA (0.47) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL4329788 0.79 POLB (0.51) PPARGPPARDPPARASMN1; SMN2MAPT
SCHEMBL4342690 0.78 PPARG (0.48) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL4327189 0.78 PPARG (0.48) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL6654698 0.78 PTGDR2 (0.51) PPARGPPARAPTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed