SCHEMBL4341908

SCHEMBL4341908

CC(C)OC(Cc1ccc(NC(=O)OCc2ccc(Cl)cc2F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.47
PPARA Q07869 10/20 0.47
PPARD Q03181 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4339978 0.90 ALDH1A1 (0.39) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL4328778 0.90 GAA (0.47) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL4339006 0.90 PPARG (0.46) PPARGPPARACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4341998 0.89 CYP1A2 (0.43) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL4335678 0.87 PPARA (0.44) PPARGPPARAPPARDSMN1; SMN2MEN1
SCHEMBL6653674 0.86 L3MBTL1 (0.51) PPARGPPARAPPARDSMN1; SMN2MEN1
SCHEMBL4333160 0.86 SMN1; SMN2 (0.41) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL4342690 0.85 PPARG (0.48) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL4327189 0.85 PPARG (0.48) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL4333132 0.83 GAA (0.44) PPARGPPARACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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