SCHEMBL10521691

SCHEMBL10521691

Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.58
▸ TSHR P16473 2/20 0.57
▸ CYP2C8 P10632 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ TTR P02766 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SLCO1B3 Q9NPD5 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CISD1 Q9NZ45 1/20 0.57
▸ SLCO1B1 Q9Y6L6 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.52
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49

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
SCHEMBL21391370 0.85 PPARA (0.60) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10474644 0.85 PPARA (0.60) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10639913 0.84 PPARA (0.59) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10635490 0.84 SMN1; SMN2 (0.61) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL21391385 0.84 PPARA (0.69) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10473984 0.83 PPARA (0.68) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10474689 0.82 PPARA (0.56) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10641468 0.82 PPARA (0.64) PPARATSHRCYP2C8CYP2C9TTR
Hydrochloric Acid SCHEMBL10522504 0.82 PPARA (0.56) PPARATSHRCYP2C8CYP2C9TTR
SCHEMBL10639338 0.82 PPARA (0.56) PPARATSHRCYP2C8CYP2C9TTR

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-4824843-A Substituted amide inhibitors of cholesterol absorption WARNER-LAMBERT COMPANY (US) 1989-04-25 — — US disclosed
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