SCHEMBL21633372

SCHEMBL21633372

CCCCCCCCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCCCCCCCC

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.82
EPHX2 P34913 5/20 0.75
CASP2 P42575 1/20 0.62
HMGCR P04035 2/20 0.62
FAAH O00519 4/20 0.60
NAAA Q02083 1/20 0.59
PTPN7 P35236 2/20 0.57
DNM1 Q05193 2/20 0.57
SLC6A5 Q9Y345 2/20 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
SCHEMBL12477806 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL13591744 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL12477831 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL12477584 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL21633386 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL21633451 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL21633358 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL21633375 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL21633390 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH
SCHEMBL12478245 1.00 SELP (0.82) SELPEPHX2CASP2HMGCRFAAH

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
WO-2020020901-A1 A METHOD OF FORMING A STABLE NON-COLOURED OR COLOURED STATE OF A DIACETYLENE COMPOUND DATALASE LTD (GB) 2020-01-30 WO disclosed