SCHEMBL11268208

SCHEMBL11268208

CCCCCCCCCCCC(=O)OCCN1CCC/N=C(/C)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
DNM1 Q05193 1/20 0.42
GAA P10253 2/20 0.39
MAPT P10636 4/20 0.37
PRKCA P17252 4/20 0.37
MAPK1 P28482 3/20 0.37
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.36
THRB P10828 1/20 0.36
PAM P19021 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11262663 0.93 DGKA (0.47) DGKADNM1GAAMAPTPRKCA
SCHEMBL11251328 0.93 DGKA (0.47) DGKADNM1GAAMAPTPRKCA
SCHEMBL11257783 0.87 PRKCA (0.44) DGKAMAPTPRKCAALDH1A1THRB
SCHEMBL11257777 0.87 PRKCA (0.44) DGKAMAPTPRKCAALDH1A1THRB
SCHEMBL11257126 0.83 ALDH1A1 (0.49) GAAMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL11257124 0.83 ALDH1A1 (0.49) GAAMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL11515165 0.80 GAA (0.53) DGKADNM1GAAMAPTPRKCA
SCHEMBL20266565 0.78 CHRM1 (0.38) DGKADNM1L3MBTL1ALDH1A1
SCHEMBL11269957 0.76 DGKA (0.43) DGKADNM1GAAPRKCAL3MBTL1
SCHEMBL11269955 0.76 DGKA (0.43) DGKADNM1GAAPRKCAL3MBTL1

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