SCHEMBL23086002

SCHEMBL23086002

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCC#CCCCCCCCCCC

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.82
EPHX2 P34913 4/20 0.75
HMGCR P04035 3/20 0.62
FAAH O00519 4/20 0.60
CASP2 P42575 1/20 0.58
PTPN7 P35236 4/20 0.57
DNM1 Q05193 2/20 0.57
NAAA Q02083 1/20 0.54

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
SCHEMBL23085999 0.98 SELP (0.85) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633358 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633372 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL13591744 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633451 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633375 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633386 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL25212622 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL21633390 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2
SCHEMBL12477584 0.97 SELP (0.82) SELPEPHX2HMGCRFAAHCASP2

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-20210072213-A1 POLY(DIACETYLENE) SENSOR ARRAYS FOR CHARACTERIZING AQUEOUS SOLUTIONS AARHUS UNIVERSITET (DK) 2021-03-11 US disclosed