SCHEMBL10639447

SCHEMBL10639447

Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.56
▸ PPARG P37231 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CYP2C8 P10632 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SLCO1B3 Q9NPD5 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CISD1 Q9NZ45 1/20 0.56
▸ SLCO1B1 Q9Y6L6 1/20 0.56
▸ NR1H4 Q96RI1 2/20 0.50
▸ FFAR4 Q5NUL3 2/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 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
SCHEMBL10639510 0.90 PPARA (0.52) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10638423 0.89 PPARA (0.60) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10639913 0.88 PPARA (0.59) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10635490 0.84 SMN1; SMN2 (0.61) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10638854 0.84 PPARA (0.55) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL21391370 0.83 PPARA (0.60) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10474644 0.83 PPARA (0.60) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10473984 0.82 PPARA (0.68) PPARAPPARGTSHRCYP2C8CYP2C9
Hydrochloric Acid SCHEMBL10522506 0.82 PPARA (0.52) PPARAPPARGTSHRCYP2C8CYP2C9
SCHEMBL10521691 0.81 PPARA (0.58) PPARAPPARGTSHRCYP2C8CYP2C9

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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