SCHEMBL23586604

SCHEMBL23586604

Cc1cc(Br)c(C)c(OCCCC(C)(C)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP2C9 P11712 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TTR P02766 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C8 P10632 1/20 0.63
CHRM1 P11229 1/20 0.63
TSHR P16473 1/20 0.63
ADRA1A P35348 1/20 0.63
PPARG P37231 1/20 0.63
HTR2B P41595 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
CISD1 Q9NZ45 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LTB4R Q15722 1/20 0.41
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39

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
SCHEMBL29840626 0.83 PPARA (0.63) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21753583 0.83 PPARA (0.63) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21757422 0.81 PPARA (0.43) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21753587 0.81 PPARA (0.59) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21753575 0.79 PPARA (0.64) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21753577 0.78 PPARA (0.56) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21753568 0.78 PPARA (0.52) PPARASMN1; SMN2CYP2C9TDP1TTR
SCHEMBL11090319 0.77 PPARA (0.75) PPARASMN1; SMN2CYP2C9TDP1TTR
Gemfibrozil SCHEMBL20770039 0.77 PPARA (1.00) PPARASMN1; SMN2CYP2C9TDP1TTR
Gemfibrozil SCHEMBL4813 0.77 PPARA (1.00) PPARASMN1; SMN2CYP2C9TDP1TTR

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
EP-3842410-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF Beijing Wholesomeyird Sci & Tech Co., Ltd. (CN) 2021-06-30 EP disclosed