SCHEMBL10473698

SCHEMBL10473698

CCOc1ccccc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.60
▸ TSHR P16473 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C8 P10632 2/20 0.59
▸ TTR P02766 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.54
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MRGPRX1 Q96LB2 1/20 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
SCHEMBL10571803 0.93 PPARA (0.54) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473623 0.92 PPARA (0.58) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10475031 0.92 PPARA (0.72) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10474698 0.90 PPARA (0.61) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473693 0.88 PPARA (0.58) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473704 0.84 PPARA (0.65) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473599 0.84 PPARA (0.67) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10943373 0.82 PPARA (0.66) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473633 0.82 PPARA (0.61) PPARATSHRCYP2C9CYP2C8TTR
SCHEMBL10473631 0.81 PPARA (0.60) PPARATSHRCYP2C9CYP2C8TTR

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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