SCHEMBL45292

SCHEMBL45292

CCCc1c(C(=O)O)cc(O)c(O)c1OC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
MCL1 Q07820 1/20 0.39
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL39173 0.88 LDHA (0.39) MCL1
SCHEMBL27639352 0.76 LDHA (0.49) SELLSELPMCL1KAT8PPARA
SCHEMBL22629 0.76 LDHA (0.49) SELLSELPMCL1KAT8PPARA
SCHEMBL28382103 0.75 ALDH1A1 (0.40) MCL1PPARAALDH1A1CYSLTR2CYSLTR1
Benzene SCHEMBL28179050 0.75 LDHA (0.47) MCL1KAT8PPARA
SCHEMBL27803040 0.75 LDHA (0.47) MCL1KAT8PPARA
SCHEMBL40220 0.73 SELL (0.53) SELLSELPMCL1KAT8PPARA
SCHEMBL1668825 0.72 POLB (0.51) KDM4EHPGDMEN1KMT2A
SCHEMBL8768033 0.70 ESR1 (0.46) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL10726758 0.70 SELL (0.53) SELLSELPMCL1KAT8PPARA

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
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed