SCHEMBL5317685

SCHEMBL5317685

COCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
APP P05067 1/20 0.41
GRM4 Q14833 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALPL P05186 1/20 0.40
HPGD P15428 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 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
SCHEMBL5311137 0.82 PKM (0.47) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL5310369 0.79 ALDH1A1 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5315937 0.78 LMNA (0.41) KDM4EMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL3910531 0.76 PKM (0.47) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL3912012 0.75 APP (0.47) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL3911551 0.74 APP (0.51) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL2652708 0.73 ALDH1A1 (0.55) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL29550139 0.73 ALDH1A1 (0.55) PKMKDM4EMAPTPOLBALDH1A1
Fluoride SCHEMBL28087422 0.71 ALDH1A1 (0.53) PKMKDM4EMAPTPOLBALDH1A1
SCHEMBL5317681 0.71 NPC1 (0.41) PKMKDM4EMAPTPOLBALDH1A1

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-1840158-A1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-10-03 EP disclosed