SCHEMBL10942633

SCHEMBL10942633

Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(CCS(=O)(=O)NC(C)(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ CYP2C8 P10632 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ TTR P02766 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CISD1 Q9NZ45 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.49
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 3/20 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
SCHEMBL21391385 0.85 PPARA (0.69) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10638423 0.84 PPARA (0.60) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10641221 0.82 PPARA (0.62) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10638458 0.82 PPARA (0.55) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10474998 0.82 NR1H4 (0.70) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10638119 0.81 PPARA (0.57) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10638123 0.81 PPARA (0.57) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10638251 0.81 PPARA (0.65) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10943363 0.81 PPARA (0.67) PPARASMN1; SMN2TSHRCYP2C8CYP2C9
SCHEMBL10641653 0.80 PPARA (0.65) PPARASMN1; SMN2TSHRCYP2C8CYP2C9

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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