SCHEMBL10475117

SCHEMBL10475117

COc1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.62
▸ CYP2C9 P11712 3/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP2C8 P10632 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TTR P02766 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ CISD1 Q9NZ45 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ NR1H4 Q96RI1 1/20 0.56
▸ CYP2C19 P33261 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 2/20 0.47

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) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10635423 0.89 PPARA (0.60) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10635269 0.88 PPARA (0.59) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10473704 0.86 PPARA (0.65) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10474998 0.86 NR1H4 (0.70) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10641305 0.85 PPARA (0.54) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10641301 0.85 PPARA (0.54) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL21389589 0.84 MEN1 (0.67) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10641653 0.84 PPARA (0.65) PPARACYP2C9CYP1A2TSHRCYP2C8
SCHEMBL10474698 0.83 PPARA (0.61) PPARACYP2C9CYP1A2TSHRCYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882357-A ANTICHOLESTEROL AGENT; INCREASES HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1989-11-21 — — US claimed
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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