SCHEMBL10587103

SCHEMBL10587103

O=C1OC(=O)c2cc(Cl)ccc21.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.54
PPOX P50336 1/20 0.54
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TYMS P04818 1/20 0.42
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CES1 P23141 2/20 0.39
TGM2 P21980 1/20 0.39
AHR P35869 1/20 0.39
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL79617 0.98 S100A4 (0.56) S100A4PPOXALOX15TDP1CA12
SCHEMBL31376098 0.95 S100A4 (0.54) S100A4PPOXALOX15TDP1CA12
SCHEMBL4668872 0.95 S100A4 (0.54) S100A4PPOXALOX15TDP1CA12
Bicarbonate SCHEMBL9337931 0.86 CA1 (0.50) S100A4PPOXALOX15TDP1CA12
Bicarbonate SCHEMBL9337919 0.86 CA1 (0.50) S100A4PPOXALOX15TDP1CA12
SCHEMBL28475452 0.81 TDP2 (0.49) S100A4PPOXALOX15TDP1CA12
SCHEMBL17195907 0.81 S100A4 (0.48) S100A4PPOXALOX15TDP1CA12
SCHEMBL20932736 0.81 PPOX (0.48) S100A4PPOXCA12CA1CA2
Acrylamide SCHEMBL28284948 0.80 CA12 (0.46) S100A4PPOXALOX15TDP1CA12
SCHEMBL6749397 0.78 S100A4 (0.45) S100A4PPOXALOX15TDP1CA12

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
EP-0330220-A2 Process for the preparation and recovery of oxydiphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1989-08-30 EP claimed