SCHEMBL10475029

SCHEMBL10475029

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ CYP2C8 P10632 2/20 0.72
▸ TTR P02766 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ ADRA1A P35348 1/20 0.72
▸ PPARG P37231 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ SLCO1B3 Q9NPD5 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ CISD1 Q9NZ45 1/20 0.72
▸ SLCO1B1 Q9Y6L6 1/20 0.72
▸ NR1H4 Q96RI1 1/20 0.54
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GUCY1A1 Q02108 1/20 0.46

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 0.90 PPARA (0.69) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL10473984 0.89 PPARA (0.68) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL10641653 0.87 PPARA (0.65) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL10474998 0.87 NR1H4 (0.70) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL10641221 0.85 PPARA (0.62) PPARACYP2C9TSHRCYP2C8TTR
Gemfibrozil SCHEMBL29398115 0.85 PPARA (1.00) PPARACYP2C9TSHRCYP2C8TTR
Gemfibrozil SCHEMBL20770039 0.85 PPARA (1.00) PPARACYP2C9TSHRCYP2C8TTR
Gemfibrozil SCHEMBL1880616 0.85 PPARA (1.00) PPARACYP2C9TSHRCYP2C8TTR
Gemfibrozil SCHEMBL4813 0.85 PPARA (1.00) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL21389589 0.85 MEN1 (0.67) PPARACYP2C9TSHRCYP2C8TTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975456-A For inhibiting intestinal absorption of cholesterol and increasing high density lipoprotein WARNER-LAMBERT COMPANY (US) 1990-12-04 — — US disclosed
US-4882357-A ANTICHOLESTEROL AGENT; INCREASES HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1989-11-21 — — US disclosed
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