SCHEMBL10640327

SCHEMBL10640327

CC/C(=C\c1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1OC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ CYP2C8 P10632 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ TTR P02766 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ CISD1 Q9NZ45 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 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
SCHEMBL10640335 1.00 PPARA (0.52) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10639817 0.93 TSHR (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10639807 0.93 TSHR (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638696 0.90 PPARA (0.51) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638693 0.90 PPARA (0.51) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10635715 0.87 PPARA (0.55) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10635736 0.87 PPARA (0.55) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638571 0.85 PPARA (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10638588 0.85 PPARA (0.53) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10641301 0.85 PPARA (0.54) 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
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