SCHEMBL9681829

SCHEMBL9681829

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
PYGL P06737 11/20 0.53
PYGM P11217 3/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX5 P09917 3/20 0.51
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9681882 0.86 KMT2A (0.57) TP53MAPTGAATDP1ALOX5
SCHEMBL9448725 0.81 ALOX5 (0.65) TP53MAPTGAATDP1ALOX5
SCHEMBL8566918 0.80 ALOX5 (0.77) TP53MAPTGAATDP1ALOX5
SCHEMBL9681063 0.80 KDM4E (0.51) PYGLPYGMMAPTGAATDP1
SCHEMBL9680701 0.80 KMT2A (0.48) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL28469904 0.79 CES2 (0.52) TP53PYGLPYGMMAPTGAA
SCHEMBL28132328 0.78 POLB (0.55) PYGLPYGMMAPTTDP1ALDH1A1
SCHEMBL9324004 0.78 ALDH1A1 (0.60) TP53MAPTGAATDP1ALDH1A1
SCHEMBL4721013 0.78 CES2 (0.70) TP53MAPTALOX5ALDH1A1KDM4E
SCHEMBL1546357 0.77 ALOX5 (0.68) TP53MAPTTDP1ALOX5ALDH1A1

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 2 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