SCHEMBL13114331

SCHEMBL13114331

CCCCCCC(CC)OC(=O)c1ccc(OC(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 3/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
CETP P11597 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29263163 0.85 PRKCA (0.56) PNLIPPRKCAPRKCDLMNAKMT2A
SCHEMBL29139955 0.85 PRKCA (0.56) PNLIPPRKCAPRKCDLMNAKMT2A
SCHEMBL27414334 0.85 PRKCA (0.56) PNLIPPRKCAPRKCDLMNAKMT2A
SCHEMBL9148434 0.84 PRKCA (0.50) PNLIPPRKCAPRKCDNPC1LMNA
SCHEMBL9856533 0.84 PRKCA (0.51) PRKCAPRKCDSMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL28446579 0.84 PRKCA (0.55) PNLIPPRKCAPRKCDLMNAKMT2A
SCHEMBL297352 0.84 PRKCA (0.57) PNLIPPRKCAPRKCDLMNAKMT2A
SCHEMBL9145811 0.83 NPC1 (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9145935 0.83 NPC1 (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9856542 0.83 PRKCA (0.50) PRKCAPRKCDLMNASMN1; SMN2MAPT

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-1960494-B1 LIGHT MODULATING MATERIAL AND LIGHT MODULATING METHOD FUJIFILM CORP (JP) 2010-10-06 EP disclosed