SCHEMBL30003185

SCHEMBL30003185

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.53
CTSG P08311 4/20 0.53
ALOX5 P09917 9/20 0.49
MPEG1 Q2M385 7/20 0.49
XIAP P98170 3/20 0.49
GPR84 Q9NQS5 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
PTGES O14684 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL23271730 1.00 ELANE (0.53) ELANECTSGALOX5MPEG1XIAP
SCHEMBL23271701 0.96 ELANE (0.52) ELANECTSGALOX5MPEG1XIAP
SCHEMBL30003558 0.96 ELANE (0.52) ELANECTSGALOX5MPEG1XIAP
SCHEMBL30003946 0.84 ALDH1A1 (0.53) ELANECTSGKDM4EMEN1USP2
SCHEMBL23271901 0.84 ALDH1A1 (0.53) ELANECTSGKDM4EMEN1USP2
SCHEMBL23271756 0.83 ELANE (0.47) ELANECTSGKAT2BPTPN1BID
SCHEMBL30004200 0.83 PTPN1 (0.48) ELANECTSGKDM4EMEN1USP2
SCHEMBL23271916 0.83 PTPN1 (0.48) ELANECTSGKDM4EMEN1USP2
SCHEMBL23271699 0.83 PTPN1 (0.51) ELANECTSGKAT2BPTPN1BID
SCHEMBL30004077 0.83 ELANE (0.47) ELANECTSGKAT2BPTPN1BID

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