SCHEMBL30003983

SCHEMBL30003983

CCCCc1cc2c(cc1CCCC)C(=O)C(Cl)=CC2=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.39
ALOX5 P09917 4/20 0.33
PTPN1 P18031 1/20 0.33
SOAT1 P35610 10/20 0.33
S100A4 P26447 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
TYR P14679 1/20 0.32
XIAP P98170 1/20 0.31
MPEG1 Q2M385 1/20 0.31

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
SCHEMBL23271774 1.00 CTRC (0.39) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL23271936 0.81 ALDH1A1 (0.43) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL30003718 0.81 ALDH1A1 (0.43) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL30003508 0.80 CTRC (0.44) CTRCELANECTSGTYR
SCHEMBL23271943 0.80 CTRC (0.44) CTRCELANECTSGTYR
SCHEMBL23271941 0.80 PTPN1 (0.36) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL30003394 0.80 PTPN1 (0.40) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL23271779 0.80 ALOX5 (0.47) ALOX5ELANECTSGTYRXIAP
SCHEMBL23271932 0.80 PTPN1 (0.40) CTRCALOX5PTPN1SOAT1S100A4
SCHEMBL30003715 0.80 ALOX5 (0.47) ALOX5ELANECTSGTYRXIAP

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
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed