SCHEMBL9702012

SCHEMBL9702012

Cc1cc(OC(=O)C(C)(C)C)c(C)c(C)c1OCCCC(C)(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.52
CYP2C9 P11712 2/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C8 P10632 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
ADRA1A P35348 1/20 0.52
PPARG P37231 1/20 0.52
HTR2B P41595 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CISD1 Q9NZ45 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37
LTB4R Q15722 4/20 0.36

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
SCHEMBL11095485 0.88 PPARA (0.62) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11095523 0.81 PPARA (0.56) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11094778 0.81 PPARA (0.56) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11091339 0.80 PPARA (0.56) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL21753568 0.80 PPARA (0.52) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11094196 0.78 PPARA (0.53) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11090319 0.77 PPARA (0.75) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL9702017 0.77 PPARA (0.55) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11099016 0.76 PPARA (0.51) PPARACYP2C9TTRCYP1A2CYP2C8
SCHEMBL11091448 0.76 PPARA (0.57) PPARACYP2C9TTRCYP1A2CYP2C8

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