SCHEMBL13433430

SCHEMBL13433430

COc1ccc(-c2cccc(CC(=O)O)c2)cc1CNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 9/20 0.47
▸ PPARA Q07869 9/20 0.47
▸ AKR1B1 P15121 2/20 0.46
▸ PPARG P37231 6/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL13433429 0.89 PPARD (0.47) PPARDPPARAPPARGNR1H4ROCK2
SCHEMBL13433432 0.87 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL13433426 0.81 PPARD (0.47) PPARDPPARAPPARGNR1H4TMEM97
SCHEMBL13433441 0.79 PPARD (0.56) PPARDPPARAPPARGPTPN11
SCHEMBL3415748 0.79 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL13433435 0.78 PPARA (0.48) PPARDPPARAPPARGNR1H4ROCK2
SCHEMBL13433442 0.77 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL13433434 0.76 PPARA (0.47) PPARDPPARAPPARGPTPN11ROCK2
SCHEMBL3413822 0.76 PPARD (0.61) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL3415779 0.75 PPARD (0.51) PPARDPPARAAKR1B1PPARGROCK2

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
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