SCHEMBL30003594

SCHEMBL30003594

CCCCc1cccc2c1C(=O)C=C(Cl)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
CTSG P08311 5/20 0.46
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
PTPN1 P18031 1/20 0.39
CTRC Q99895 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 3/20 0.36
APAF1 O14727 2/20 0.36
P4HB P07237 1/20 0.36
SLC37A4 O43826 1/20 0.36
MAPT P10636 2/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAP2K7 O14733 1/20 0.36
TRPA1 O75762 1/20 0.36
RAF1 P04049 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL23271674 1.00 ELANE (0.46) ELANECTSGAURKAAURKBPTPN1
SCHEMBL23271756 0.96 ELANE (0.47) ELANECTSGAURKAAURKBPTPN1
SCHEMBL30004077 0.96 ELANE (0.47) ELANECTSGAURKAAURKBPTPN1
SCHEMBL30004181 0.84 ALDH1A1 (0.54) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271989 0.84 ALDH1A1 (0.54) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271700 0.82 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL30004170 0.82 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271814 0.82 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271701 0.82 ELANE (0.52) ELANECTSGALDH1A1P4HBMAPT
SCHEMBL30003294 0.82 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3

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