SCHEMBL9746372

SCHEMBL9746372

CCCCCC[C@@H](C)c1cc(O)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
KAT8 Q9H7Z6 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
NAAA Q02083 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PPARG P37231 1/20 0.41
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL9342860 1.00 PPARA (0.47) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL6871353 1.00 PPARA (0.47) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL9342859 1.00 PPARA (0.47) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL9144107 0.88 CA12 (0.46) PPARAKDM4EALDH1A1HTTCYSLTR2
SCHEMBL9489838 0.88 CA12 (0.46) PPARAKDM4EALDH1A1HTTCYSLTR2
SCHEMBL5179731 0.87 PPARA (0.48) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL129098 0.87 PPARA (0.48) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL10587906 0.86 PTPN11 (0.47) PPARAALDH1A1TSHRRARB
SCHEMBL5180293 0.84 PPARA (0.46) PPARAKDM4EALDH1A1HTTKAT8
SCHEMBL9224875 0.84 PPARA (0.46) PPARAKDM4EALDH1A1HTTKAT8

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-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 US disclosed