SCHEMBL19971908

SCHEMBL19971908

CCCCCCCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
DGKA P23743 1/20 0.51
HTR2C P28335 1/20 0.50
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.44
DNM1 Q05193 1/20 0.44
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40
PAM P19021 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
Dodecane SCHEMBL12471512 0.97 DGKA (0.51) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL44038 0.94 DGKA (0.46) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11706849 0.85 DGKA (0.39) DGKADNM1TSHR
SCHEMBL3290108 0.84 NAAA (0.38) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL21048728 0.82 DGKA (0.39) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL9015663 0.82 DGKA (0.43) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889141 0.82 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889198 0.82 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889194 0.82 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889132 0.82 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584226-B2 Pulverulent mixtures containing low-emission nitrile rubbers ARLANXEO DEUTSCHLAND GMBH (DE) 2020-03-10 US disclosed
US-20180079886-A1 PULVERULENT MIXTURES CONTAINING LOW-EMISSION NITRILE RUBBERS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-22 US disclosed
CN-104812592-A Rubber mixtures containing short-chain alkyl esters of glycerin LANXESS DEUTSCHLAND GMBH 2015-07-29 CN disclosed
CN-104661832-A Polysulphide additive, method for production thereof, and use thereof in rubber mixtures LANXESS DEUTSCHLAND GMBH 2015-05-27 CN disclosed