SCHEMBL16350102

SCHEMBL16350102

CCn1ccc(-c2cc(C)ccc2OC(C(=O)O)c2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 3/20 0.46
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
JMJD6 Q6NYC1 1/20 0.37
CTSA P10619 2/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
CCKAR P32238 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL16348306 0.93 PPARG (0.51) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348423 0.90 PPARG (0.46) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348309 0.88 PPARA (0.52) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348327 0.85 PPARA (0.46) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348360 0.85 JMJD6 (0.42) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348357 0.83 PPARG (0.47) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348380 0.82 JMJD6 (0.40) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348312 0.82 PPARA (0.43) PPARGPPARACYP1A2CYP2D6CYP2C9
SCHEMBL16348424 0.81 PPARA (0.40) PPARGPPARAKEAP1NFE2L2JMJD6
SCHEMBL16348334 0.80 PPARG (0.55) PPARGPPARAKEAP1NFE2L2TSHR

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

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