SCHEMBL10639810

SCHEMBL10639810

CCC(=CC(=O)O)c1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.54
▸ PPARA Q07869 3/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ TTR P02766 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ CISD1 Q9NZ45 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.51
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41

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
SCHEMBL10640332 0.94 PPARA (0.52) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10635725 0.92 PPARA (0.55) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10638581 0.87 PPARA (0.53) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10639189 0.84 PPARA (0.60) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10636166 0.83 TSHR (0.58) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL21391385 0.82 PPARA (0.69) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10636131 0.81 PPARA (0.56) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10636125 0.81 PPARA (0.56) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10641653 0.81 PPARA (0.65) TSHRPPARACYP2C8CYP2C9TDP1
SCHEMBL10639807 0.81 TSHR (0.53) TSHRPPARACYP2C8CYP2C9TDP1

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
EP-0134337-B1 SUBSTITUTED 2,2-DIMETHYL-5-PHENOXYPENTANOIC ACID BENZAMIDES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP claimed
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