SCHEMBL6280428

SCHEMBL6280428

CCc1ccccc1Nc1c(C)cccc1CC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.74
CLCN2 P51788 1/20 0.54
GAA P10253 2/20 0.48
NLRP3 Q96P20 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL16480270 0.94 PTGS2 (0.68) PTGS2CLCN2GAAKMT2AALDH1A1
SCHEMBL10699208 0.88 CLCN2 (0.66) PTGS2CLCN2GAAKMT2AALDH1A1
SCHEMBL13730777 0.86 PTGS2 (0.72) PTGS2CLCN2GAAKMT2A
SCHEMBL16480275 0.84 PTGS2 (0.58) PTGS2NLRP3KMT2AALDH1A1ALOX12
SCHEMBL9932550 0.82 PTGS2 (0.53) PTGS2GAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL11025839 0.81 PTGS2 (0.60) PTGS2CLCN2GAANLRP3KMT2A
SCHEMBL18734561 0.80 RAPGEF4 (0.56) PTGS2CLCN2GAAALDH1A1SMN1; SMN2
SCHEMBL1548694 0.80 ALDH1A1 (0.54) PTGS2CLCN2GAAKMT2AALDH1A1
SCHEMBL29611012 0.79 PTGS2 (0.55) PTGS2CLCN2NLRP3KMT2AALDH1A1
SCHEMBL2612576 0.79 PTGS2 (0.55) PTGS2CLCN2NLRP3KMT2AALDH1A1

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-1268927-B1 A PROCESS FOR PRODUCTION OF PAPER MATERIALS WITH IMPROVED WET STRENGTH NOVOZYMES AS (DK) 2005-10-26 EP disclosed