SCHEMBL30004077

SCHEMBL30004077

CCCCCc1cccc2c1C(=O)C=C(Cl)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.47
CTSG P08311 4/20 0.47
PTPN1 P18031 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
P4HB P07237 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL23271756 1.00 ELANE (0.47) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271674 0.96 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL30003594 0.96 ELANE (0.46) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL30003946 0.84 ALDH1A1 (0.53) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271901 0.84 ALDH1A1 (0.53) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271916 0.83 PTPN1 (0.48) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL30004200 0.83 PTPN1 (0.48) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL23271730 0.83 ELANE (0.53) ELANECTSGPTPN1BIDMCL1
SCHEMBL23271699 0.83 PTPN1 (0.51) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL30003185 0.83 ELANE (0.53) ELANECTSGPTPN1BIDMCL1

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