SCHEMBL10641301

SCHEMBL10641301

COc1cc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)ccc1/C=C/C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.54
▸ TSHR P16473 3/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ SMN1; SMN2 Q16637 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
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ CISD1 Q9NZ45 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.48
▸ ITGB3 P05106 2/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL10641305 1.00 PPARA (0.54) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10636131 0.93 PPARA (0.56) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10636125 0.93 PPARA (0.56) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638610 0.90 PPARA (0.51) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638599 0.90 PPARA (0.51) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10640175 0.90 SMN1; SMN2 (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10640184 0.90 SMN1; SMN2 (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638488 0.88 PPARA (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638480 0.88 PPARA (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10475117 0.85 PPARA (0.62) 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
EP-0134337-B1 SUBSTITUTED 2,2-DIMETHYL-5-PHENOXYPENTANOIC ACID BENZAMIDES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP claimed
Send feedback