SCHEMBL30003310

SCHEMBL30003310

Cc1cccc2c1C(=O)C=C(O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
RECQL P46063 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPK1 P28482 4/20 0.54
HPGD P15428 3/20 0.54
CYP3A4 P08684 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 3/20 0.54
ALOX15 P16050 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAP2K7 O14733 1/20 0.54
TRPA1 O75762 1/20 0.54
RAF1 P04049 1/20 0.54
ERBB2 P04626 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 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
SCHEMBL5806297 1.00 MAPT (0.54) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL5806124 0.85 MAPT (0.49) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL14838185 0.82 MAPT (0.44) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL18992086 0.81 MAPT (0.53) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL29406963 0.81 MAPT (0.53) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL5805855 0.81 ALDH1A1 (0.68) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL30002968 0.81 ALDH1A1 (0.68) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL29405399 0.81 MAPT (0.72) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL109904 0.81 MAPT (0.72) MAPTALDH1A1KDM4ERECQLKMT2A
SCHEMBL23271937 0.79 ALDH1A1 (0.47) MAPTALDH1A1KDM4ERECQLKMT2A

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