SCHEMBL30003946

SCHEMBL30003946

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
HSPD1 P10809 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
CDC25A P30304 2/20 0.53
CDC25B P30305 2/20 0.53
BLM P54132 2/20 0.53
HSPE1 P61604 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TST Q16762 2/20 0.53
EP300 Q09472 2/20 0.53
KAT2B Q92831 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAP2K7 O14733 1/20 0.53

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
SCHEMBL23271901 1.00 ALDH1A1 (0.53) ALDH1A1MAPTMEN1TP53CYP1A2
SCHEMBL23271989 0.95 ALDH1A1 (0.54) ALDH1A1MAPTMEN1TP53CYP1A2
SCHEMBL30004181 0.95 ALDH1A1 (0.54) ALDH1A1MAPTMEN1TP53CYP1A2
SCHEMBL30003185 0.84 ELANE (0.53) ALDH1A1MAPTMEN1TP53HPGD
SCHEMBL23271916 0.84 PTPN1 (0.48) ALDH1A1MAPTMEN1KMT2AEP300
SCHEMBL30004077 0.84 ELANE (0.47) EP300KAT2BELANECTSGPTPN1
SCHEMBL23271756 0.84 ELANE (0.47) EP300KAT2BELANECTSGPTPN1
SCHEMBL23271699 0.84 PTPN1 (0.51) EP300KAT2BELANECTSGPTPN1
SCHEMBL23271730 0.84 ELANE (0.53) ALDH1A1MAPTMEN1TP53HPGD
SCHEMBL30004200 0.84 PTPN1 (0.48) ALDH1A1MAPTMEN1KMT2AEP300

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