SCHEMBL10638693

SCHEMBL10638693

CC/C(=C\c1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CYP2C8 P10632 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ TTR P02766 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CISD1 Q9NZ45 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.46
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37

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
SCHEMBL10638696 1.00 PPARA (0.51) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10639807 0.92 TSHR (0.53) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10639817 0.92 TSHR (0.53) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10640327 0.90 PPARA (0.52) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10640335 0.90 PPARA (0.52) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10635715 0.87 PPARA (0.55) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10635736 0.87 PPARA (0.55) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10640175 0.85 SMN1; SMN2 (0.53) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10640184 0.85 SMN1; SMN2 (0.53) PPARATSHRCYP2C9SMN1; SMN2CYP2C8
SCHEMBL10638571 0.84 PPARA (0.53) PPARATSHRCYP2C9SMN1; SMN2CYP2C8

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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