SCHEMBL16348357

SCHEMBL16348357

CCCCn1ccc(-c2cc(Cl)ccc2OC(C(=O)O)c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSPO P30536 1/20 0.36
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL16348369 0.95 PPARA (0.48) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348426 0.90 PSEN1 (0.38) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348306 0.90 PPARG (0.51) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348339 0.87 PPARG (0.39) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348313 0.86 PPARG (0.44) PPARGPPARA
SCHEMBL16348334 0.85 PPARG (0.55) PPARGPPARATSPOKEAP1NFE2L2
SCHEMBL16348309 0.85 PPARA (0.52) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348423 0.83 PPARG (0.46) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16350102 0.83 PPARG (0.46) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL16348327 0.82 PPARA (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
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