SCHEMBL9717420

SCHEMBL9717420

CCCCCCCCC1OC1CCCCCCCC(=O)OCCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
ALDH1A1 P00352 1/20 0.47
DNM1 Q05193 1/20 0.46
PRKCA P17252 2/20 0.44
TLR2 O60603 1/20 0.43
PAM P19021 2/20 0.42

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
SCHEMBL11909958 0.93 DGKA (0.51) DGKAALDH1A1DNM1PRKCATLR2
SCHEMBL11909330 0.93 DGKA (0.51) DGKAALDH1A1DNM1PRKCATLR2
SCHEMBL467658 0.92 DGKA (0.62) DGKAALDH1A1DNM1PAM
SCHEMBL12168159 0.88 LPAR1 (0.51)
SCHEMBL9186721 0.87 DGKA (0.70) DGKAALDH1A1DNM1PAM
SCHEMBL4597676 0.86 DGKA (0.59) DGKAALDH1A1DNM1PRKCA
SCHEMBL467560 0.86 DGKA (0.59) DGKAALDH1A1DNM1PRKCA
SCHEMBL20500772 0.86 DGKA (0.59) DGKAALDH1A1DNM1PRKCA
SCHEMBL18957507 0.86 DGKA (0.59) DGKAALDH1A1DNM1PRKCA
SCHEMBL26186897 0.86 DGKA (0.59) DGKAALDH1A1DNM1PRKCA

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-5127934-A STABILIZED COMPOSITIONS COMPRISING ISOTHIAZOLONES AND EPOXIDES ROHM AND HAAS COMPANY (US) 1992-07-07 US disclosed