SCHEMBL21903201

SCHEMBL21903201

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCP(=O)(OCC)OCC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.62
EPHX2 P34913 2/20 0.54
LPAR1 Q92633 3/20 0.49
HMGCR P04035 2/20 0.47
FAAH O00519 4/20 0.46
LPAR2 Q9HBW0 2/20 0.44
ENPP2 Q13822 1/20 0.44
DNM1 Q05193 2/20 0.44
PTPN7 P35236 1/20 0.43
CASP2 P42575 1/20 0.43
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18248592 0.86 CASP2 (0.56) EPHX2LPAR1FAAHLPAR2ENPP2
SCHEMBL21490303 0.85 SELP (0.68) SELPEPHX2LPAR1HMGCRFAAH
SCHEMBL23085999 0.84 SELP (0.85) SELPEPHX2HMGCRFAAHDNM1
SCHEMBL9575783 0.83 FAAH (0.54) SELPEPHX2LPAR1FAAHLPAR2
SCHEMBL13853970 0.83 FAAH (0.54) SELPEPHX2LPAR1FAAHLPAR2
SCHEMBL21633358 0.83 SELP (0.82) SELPEPHX2HMGCRFAAHDNM1
SCHEMBL21633386 0.83 SELP (0.82) SELPEPHX2HMGCRFAAHDNM1
SCHEMBL23086002 0.83 SELP (0.82) SELPEPHX2HMGCRFAAHDNM1
SCHEMBL21633375 0.83 SELP (0.82) SELPEPHX2HMGCRFAAHDNM1
SCHEMBL25212622 0.83 SELP (0.82) SELPEPHX2HMGCRFAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10879107-B2 Method of forming barrier free contact for metal interconnects INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-12-29 US disclosed
CN-111971803-A Polymerizable self-assembling monomers for atomic layer deposition 国际商业机器公司 2020-11-20 CN disclosed
US-20200144107-A1 METHOD OF FORMING BARRIER FREE CONTACT FOR METAL INTERCONNECTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-05-07 US disclosed