SCHEMBL21183226

SCHEMBL21183226

CC(C)CC(C)(C)NC(=O)n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.51
FAAH O00519 1/20 0.49
GAA P10253 8/20 0.46
MGAM O43451 7/20 0.46
AMY1A P0DUB6 7/20 0.46
SI P14410 7/20 0.46
MGAM2 Q2M2H8 7/20 0.46
KMT2A Q03164 3/20 0.46
F2 P00734 2/20 0.46
HPGD P15428 1/20 0.46
SLC9A1 P19634 1/20 0.46
MGLL Q99685 1/20 0.45
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
DGAT1 O75907 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20664729 0.82 ASAH1 (0.56) ASAH1GAAMGAMAMY1ASI
SCHEMBL20156704 0.80 ASAH1 (0.51) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL22101596 0.76 ASAH1 (0.56) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL20928041 0.76 ASAH1 (0.53) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL17875212 0.74 ASAH1 (0.59) ASAH1GAAMGAMAMY1ASI
SCHEMBL20150832 0.74 ASAH1 (0.71) ASAH1GAAMGAMAMY1ASI
SCHEMBL12648519 0.72 FAAH (0.53) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL22649182 0.72 ASAH1 (0.51) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL12648230 0.72 FAAH (0.53) ASAH1FAAHGAAMGAMAMY1A
SCHEMBL9419551 0.71 MGAM (0.58) ASAH1GAAMGAMAMY1ASI

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-3309219-B1 ADDITION-CURABLE SILICONE RUBBER COMPOSITION AND CURED PRODUCT SHINETSU CHEMICAL CO (JP) 2019-07-24 EP disclosed