SCHEMBL9680694

SCHEMBL9680694

O=C(Oc1ccc2c(c1)C(=O)OC2=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 6/20 0.54
GAA P10253 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX5 P09917 4/20 0.51
KDM4E B2RXH2 2/20 0.50
F2 P00734 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HGFAC Q04756 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9681888 0.87 ALDH1A1 (0.57) ALDH1A1MAPTGAAALOX5RAB9A
SCHEMBL4990373 0.85 KMT2A (0.49) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL27696384 0.82 ALDH1A1 (0.58) ALDH1A1MAPTGAAALOX5KDM4E
SCHEMBL9448725 0.82 ALOX5 (0.65) ALDH1A1MAPTGAATDP1ALOX5
SCHEMBL31124079 0.81 KMT2A (0.47) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL4598444 0.81 KMT2A (0.47) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL31124167 0.81 KMT2A (0.47) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL23417690 0.80 ALDH1A1 (0.62) ALDH1A1MAPTTDP1CES2CES1
SCHEMBL9680648 0.80 KMT2A (0.59) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL4204276 0.79 KMT2A (0.51) ALDH1A1MAPTGAATDP1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153335-A Reacting halophthalic anhydride and alkali metal salt with acid or acid derivative catalyst OCCIDENTAL CHEMICAL CORPORATION (US) 1992-10-06 US claimed
EP-0460687-A2 Process for the preparation of oxydiphthalic anhydride and acyloxyphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-12-11 EP claimed
US-5153335-A Reacting halophthalic anhydride and alkali metal salt with acid or acid derivative catalyst OCCIDENTAL CHEMICAL CORPORATION (US) 1992-10-06 US disclosed
EP-0460687-A2 Process for the preparation of oxydiphthalic anhydride and acyloxyphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-12-11 EP disclosed