SCHEMBL9298010

SCHEMBL9298010

CCCCCCCC(=O)OCC.CCCc1cc(Sc2cc(CCC)c(O)cc2C)c(C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
DGKA P23743 1/20 0.44
PAM P19021 2/20 0.41
ELANE P08246 2/20 0.41
CNR2 P34972 3/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NLRP3 Q96P20 1/20 0.38
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL9297252 0.87 NR4A1 (0.46) NR4A1DGKAPAMELANENLRP3
SCHEMBL9744765 0.80 ALOX5 (0.51) KDM4ENOD2
SCHEMBL2484244 0.80 ALOX5 (0.51) KDM4ENOD2
SCHEMBL2480931 0.80 TP53 (0.47) CNR2KDM4E
SCHEMBL2482286 0.77 TYR (0.49) KDM4ENOD2
SCHEMBL31121127 0.77 TYR (0.49) KDM4ENOD2
Ethyl Tetradecanoate SCHEMBL9296398 0.73 NR4A1 (0.45) NR4A1DGKAPAMELANENLRP3
Hexane SCHEMBL2349171 0.72 DGKA (0.75) DGKAPAMKDM4E
SCHEMBL116995 0.72 DGKA (0.75) DGKAPAMKDM4E
SCHEMBL454 0.72 DGKA (0.75) DGKAPAMKDM4E

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-5281570-A Heat sensitive sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-25 US disclosed