SCHEMBL28514367

SCHEMBL28514367

O=C=C1C(=C=O)c2cc3cc4ccccc4cc3cc2C(C(=O)O)C1=C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL28516571 0.97 POLB (0.35) POLBCASP6HSP90AA1PAX8
SCHEMBL28507414 0.79 HDAC3 (0.40) POLB
SCHEMBL28518367 0.72 CYP1A2 (0.34)
Benz(B)Anthracene SCHEMBL28339441 0.62 ALDH1A1 (0.54) POLBCASP6
Anthracene SCHEMBL29605772 0.60 ALDH1A1 (0.56) POLBCASP6
Anthracene SCHEMBL3911533 0.60 ALDH1A1 (0.56) POLBCASP6
Anthracene SCHEMBL29071655 0.60 ALDH1A1 (0.56) POLBCASP6
Benz(B)Anthracene SCHEMBL31229359 0.59 ALDH1A1 (0.50) POLBCASP6
Anthracene SCHEMBL28188518 0.58 CES2 (0.44) POLBCASP6HSP90AA1
SCHEMBL18385987 0.58 HDAC3 (0.52) POLB

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-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed