SCHEMBL13433451

SCHEMBL13433451

CCOc1ncc(-c2cccc(CC(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
LMNA P02545 1/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
AKR1B1 P15121 3/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CTSB P07858 1/20 0.39
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
MAPK1 P28482 1/20 0.38
VEGFA P15692 1/20 0.37
FLT1 P17948 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3418619 0.91 SCN2A (0.45) SCN2ASCN10ALMNAPPARDHCRTR1
SCHEMBL3413468 0.88 PPARD (0.54) PPARDPPARA
SCHEMBL3415713 0.88 PPARD (0.53) SCN2ASCN10ALMNAPPARDPPARA
SCHEMBL13461077 0.85 SCN2A (0.44) SCN2ASCN10ALMNAPPARDPPARA
SCHEMBL3417420 0.83 PTPN11 (0.43) SCN2ASCN10ALMNAPPARDHPGD
SCHEMBL3413883 0.83 ALDH1A1 (0.41) SCN2ASCN10ALMNAPPARDEGLN1
SCHEMBL13433441 0.82 PPARD (0.56) PPARDPPARA
SCHEMBL13433429 0.81 PPARD (0.47) LMNAPPARDPPARA
SCHEMBL3415588 0.81 HPGD (0.48) LMNAHCRTR1AKR1B1CTSBSHMT1
SCHEMBL3415410 0.79 SCN2A (0.50) SCN2ASCN10ALMNAPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed