SCHEMBL28074908

SCHEMBL28074908

CC(C)(C)OOC(C)(C)C.CCCCCCCCCOC(=O)CCCC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.63
NAAA Q02083 1/20 0.58
HTR2C P28335 1/20 0.56
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
DNM1 Q05193 1/20 0.53
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PAM P19021 2/20 0.49
FAAH O00519 1/20 0.49
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5205215 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL21044642 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL128125 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL15635677 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL21044666 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL21044679 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL890025 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL890022 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL3855552 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL970882 0.89 DGKA (0.79) DGKANAAAHTR2CPRSS1PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105873995-A Nitrile-butadiene rubbers that are stable in storage and method for producing same 阿朗新科德国有限责任公司 2016-08-17 CN disclosed
CN-105705539-A Copolymer rubber containing nitrile groups 阿朗新科德国有限责任公司 2016-06-22 CN disclosed