SCHEMBL28097089

SCHEMBL28097089

O=C1C=C(C2C=CC2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14119956 0.89 ALDH1A1 (0.31) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL28883091 0.71 ALDH1A1 (0.32) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL12386659 0.69
SCHEMBL10962139 0.68 MAOA (0.41) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL27893146 0.68 MAOA (0.45) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL1898536 0.67 PTPN1 (0.44) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL9099226 0.62
Maleic Anhydride SCHEMBL27689320 0.62 MAOA (0.43) ALDH1A1TP53MAPTMAPK1SMN1; SMN2
SCHEMBL10781014 0.60 ALOX15 (0.33)
SCHEMBL29380497 0.60 BRD4 (0.32)

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-105916863-A Method for producing high purity 1,3-dialkyl cyclobutane-1,2,3,4-tetracarboxylic acid-1,2:3,4-di-anhydride 日产化学工业株式会社 2016-08-31 CN disclosed