SCHEMBL30004181

SCHEMBL30004181

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 3/20 0.54
BLM P54132 3/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
HSPD1 P10809 2/20 0.54
HPGD P15428 2/20 0.54
CDC25A P30304 2/20 0.54
CDC25B P30305 2/20 0.54
HSPE1 P61604 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TST Q16762 2/20 0.54
KDM4E B2RXH2 2/20 0.54
RECQL P46063 2/20 0.54
MAP2K7 O14733 1/20 0.54
TRPA1 O75762 1/20 0.54

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
SCHEMBL23271989 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL23271901 0.95 ALDH1A1 (0.53) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL30003946 0.95 ALDH1A1 (0.53) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL30004170 0.84 ELANE (0.46) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL23271814 0.84 ELANE (0.46) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL30003558 0.84 ELANE (0.52) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL23271701 0.84 ELANE (0.52) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL23271700 0.84 ELANE (0.46) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL23271674 0.84 ELANE (0.46) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL30003594 0.84 ELANE (0.46) ALDH1A1MAPTMEN1MAPK1BLM

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