SCHEMBL30003558

SCHEMBL30003558

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.52
CTSG P08311 5/20 0.52
XIAP P98170 3/20 0.48
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
ALOX5 P09917 9/20 0.43
MPEG1 Q2M385 7/20 0.43
GPR84 Q9NQS5 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
KAT2B Q92831 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL23271701 1.00 ELANE (0.52) ELANECTSGXIAPKDM4EMAPT
SCHEMBL23271730 0.96 ELANE (0.53) ELANECTSGXIAPKDM4EMAPT
SCHEMBL30003185 0.96 ELANE (0.53) ELANECTSGXIAPKDM4EMAPT
SCHEMBL30004181 0.84 ALDH1A1 (0.54) ELANECTSGKDM4EMAPTRECQL
SCHEMBL23271989 0.84 ALDH1A1 (0.54) ELANECTSGKDM4EMAPTRECQL
SCHEMBL23271814 0.82 ELANE (0.46) ELANECTSGKDM4EMAPTRECQL
SCHEMBL30003594 0.82 ELANE (0.46) ELANECTSGKDM4EMAPTRECQL
SCHEMBL23271674 0.82 ELANE (0.46) ELANECTSGKDM4EMAPTRECQL
SCHEMBL23271700 0.82 ELANE (0.46) ELANECTSGKDM4EMAPTRECQL
SCHEMBL30004170 0.82 ELANE (0.46) ELANECTSGKDM4EMAPTRECQL

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