SCHEMBL9702591

SCHEMBL9702591

CCCCOc1cc(C)c(OCCCC(C)(C)C(=O)O)cc1C

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.68
CYP2C9 P11712 2/20 0.68
TSHR P16473 2/20 0.68
TTR P02766 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C8 P10632 1/20 0.68
CHRM1 P11229 1/20 0.68
ADRA1A P35348 1/20 0.68
PPARG P37231 1/20 0.68
HTR2B P41595 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SLCO1B3 Q9NPD5 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CISD1 Q9NZ45 1/20 0.68
SLCO1B1 Q9Y6L6 1/20 0.68
RARB P10826 1/20 0.47
ESR1 P03372 1/20 0.45
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42

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
SCHEMBL11090319 0.94 PPARA (0.75) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL9701964 0.91 PPARA (0.68) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL9701998 0.88 PPARA (0.68) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL2727802 0.87 PPARA (0.66) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL13284589 0.85 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL21753575 0.85 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL9463720 0.85 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL21753581 0.85 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL29840766 0.85 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2
SCHEMBL11094581 0.82 PPARA (0.64) PPARACYP2C9TSHRTTRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 US disclosed