SCHEMBL10474644

SCHEMBL10474644

Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(N)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.60
▸ TSHR P16473 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C8 P10632 2/20 0.59
▸ SMN1; SMN2 Q16637 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
▸ 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
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL21391370 0.87 PPARA (0.60) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10635490 0.86 SMN1; SMN2 (0.61) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10639913 0.86 PPARA (0.59) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10641468 0.86 PPARA (0.64) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10521691 0.85 PPARA (0.58) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21391385 0.85 PPARA (0.69) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10473984 0.85 PPARA (0.68) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10474689 0.84 PPARA (0.56) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Hydrochloric Acid SCHEMBL10522504 0.84 PPARA (0.56) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10639338 0.84 PPARA (0.56) PPARATSHRCYP2C9CYP2C8SMN1; 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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