SCHEMBL8712386

SCHEMBL8712386

CCCCCOC(=O)CCC#N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
DGKA P23743 1/20 0.55
HTR2C P28335 1/20 0.53
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
DNM1 Q05193 1/20 0.46
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.42
TSHR P16473 2/20 0.42
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
SCHEMBL16986082 0.94 DGKA (0.52) NAAADGKAHTR2CPRSS1PRSS2
Hexane SCHEMBL6533487 0.87 DGKA (0.47) NAAADGKAHTR2CDNM1TSHR
SCHEMBL16986077 0.86 DGKA (0.45) NAAADGKAHTR2CDNM1TSHR
SCHEMBL10010815 0.85 DGKA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL10010231 0.85 DGKA (0.66) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL9184027 0.85 NAAA (0.59) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11578019 0.84 DGKA (0.69) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL10011631 0.84 DGKA (0.58) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL10012281 0.84 DGKA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL10009941 0.83 DGKA (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756623-A MOLDING MATERIALS FOR COMPRESSION MOLDING HOECHST AG (DE) 1998-05-26 US disclosed