SCHEMBL10943373

SCHEMBL10943373

CNS(=O)(=O)c1ccccc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.66
▸ TSHR P16473 2/20 0.56
▸ CYP2C8 P10632 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ SMN1; SMN2 Q16637 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
▸ PPARG P37231 1/20 0.56
▸ HTR2B P41595 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 1/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.39

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
SCHEMBL10639214 0.83 PPARA (0.59) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10474698 0.83 PPARA (0.61) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10943363 0.83 PPARA (0.67) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10475031 0.82 PPARA (0.72) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473698 0.82 PPARA (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473599 0.82 PPARA (0.67) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10635269 0.82 PPARA (0.59) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473693 0.81 PPARA (0.58) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473623 0.81 PPARA (0.58) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473704 0.80 PPARA (0.65) PPARATSHRCYP2C8CYP2C9SMN1; SMN2

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-4554282-A Substituted 2,2-dimethyl-5-phenoxypentanoic acid benzamides as anti-arteriosclerotic agents and method WARNER-LAMBERT COMPANY (US) 1985-11-19 — — US disclosed
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