SCHEMBL10473704

SCHEMBL10473704

COc1cc(C)ccc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.65
▸ TSHR P16473 2/20 0.64
▸ CYP2C8 P10632 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ TTR P02766 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ SLCO1B3 Q9NPD5 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ CISD1 Q9NZ45 1/20 0.64
▸ SLCO1B1 Q9Y6L6 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LPAR1 Q92633 1/20 0.48
▸ MEN1 O00255 2/20 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
SCHEMBL10474698 0.92 PPARA (0.61) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473599 0.91 PPARA (0.67) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473633 0.88 PPARA (0.61) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10475117 0.86 PPARA (0.62) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473698 0.84 PPARA (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10475031 0.84 PPARA (0.72) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473631 0.84 PPARA (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL21391385 0.84 PPARA (0.69) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL10473635 0.84 PPARA (0.76) PPARATSHRCYP2C8CYP2C9SMN1; SMN2
SCHEMBL21391284 0.83 NR1H4 (0.60) PPARATSHRCYP2C8CYP2C9SMN1; SMN2

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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