SCHEMBL11258113

SCHEMBL11258113

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCN1CCC/N=C(/C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
DNM1 Q05193 1/20 0.41
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.38
RECQL P46063 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 5/20 0.37
PRKCA P17252 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL11268208 0.94 DGKA (0.44) DGKADNM1GAAMAPTRECQL
SCHEMBL11251328 0.87 DGKA (0.47) DGKADNM1GAAMAPTRECQL
SCHEMBL11262663 0.87 DGKA (0.47) DGKADNM1GAAMAPTRECQL
SCHEMBL11257126 0.84 ALDH1A1 (0.49) GAAMAPTALDH1A1THRB
SCHEMBL11257124 0.84 ALDH1A1 (0.49) GAAMAPTALDH1A1THRB
SCHEMBL11257783 0.82 PRKCA (0.44) DGKAMAPTALDH1A1PRKCATHRB
SCHEMBL11257777 0.82 PRKCA (0.44) DGKAMAPTALDH1A1PRKCATHRB
SCHEMBL11252129 0.78 ALDH1A1 (0.40) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL11260602 0.78 ALDH1A1 (0.40) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL11268119 0.78 MGLL (0.43) GAAMAPTALDH1A1THRB

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-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed