SCHEMBL8773433

SCHEMBL8773433

CCCCC#COC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
PTPN7 P35236 5/20 0.38
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL28057301 0.87
SCHEMBL18048543 0.79 HMGCR (0.40) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL28210364 0.78
SCHEMBL28984115 0.78 HMGCR (0.39) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL30029583 0.78 HMGCR (0.39) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL23000951 0.76 EPHX1 (0.44) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL17554262 0.76 HMGCR (0.38) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL21596954 0.75 TSHR (0.48) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL30029579 0.75 HMGCR (0.37) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL6473104 0.73 PTPN7 (0.50) HMGCRPTPN7RECQLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696307-B1 ULTRAVIOLET RADIATION CURABLE ACRYLIC PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS COMPRISING CARBAMATE FUNCTIONAL MONOMERS AND ADHESIVES PREPARED THEREFROM MINNESOTA MINING & MFG (US) 1997-11-05 EP claimed
EP-2288345-B1 PSYCHO-PHARMACEUTICALS UNIV DUBLIN (IE) 2015-06-10 EP disclosed