SCHEMBL10474698

SCHEMBL10474698

COc1ccccc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.61
▸ TSHR P16473 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C8 P10632 2/20 0.60
▸ TTR P02766 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ SLCO1B3 Q9NPD5 1/20 0.60
▸ CISD1 Q9NZ45 1/20 0.60
▸ SLCO1B1 Q9Y6L6 1/20 0.60
▸ NR1H4 Q96RI1 1/20 0.55
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 5/20 0.48

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
SCHEMBL10473704 0.92 PPARA (0.65) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10473698 0.90 PPARA (0.60) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10475031 0.90 PPARA (0.72) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10473623 0.89 PPARA (0.58) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10473693 0.89 PPARA (0.58) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10473599 0.85 PPARA (0.67) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10571803 0.84 PPARA (0.54) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10475117 0.83 PPARA (0.62) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10943373 0.83 PPARA (0.66) PPARATSHRSMN1; SMN2TDP1CYP2C9
SCHEMBL10473633 0.83 PPARA (0.61) PPARATSHRSMN1; SMN2TDP1CYP2C9

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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