SCHEMBL9681882

SCHEMBL9681882

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2C(=O)O)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
PKM P14618 1/20 0.57
NR1H4 Q96RI1 1/20 0.54
HGFAC Q04756 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.48
ALOX5 P09917 2/20 0.48
SRD5A2 P31213 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9681829 0.86 TP53 (0.54) ALDH1A1MAPTALOX5TDP1GAA
SCHEMBL9324004 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL9681098 0.81 KMT2A (0.49) KMT2APKMALDH1A1MAPTMEN1
SCHEMBL8202880 0.80 KMT2A (0.74) KMT2APKMNR1H4HGFACALDH1A1
SCHEMBL11613038 0.80 KMT2A (0.74) KMT2APKMNR1H4HGFACALDH1A1
SCHEMBL3713870 0.80 ALDH1A1 (0.58) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL542043 0.80 KMT2A (0.84) KMT2APKMNR1H4HGFACALDH1A1
SCHEMBL18434657 0.80 KMT2A (0.84) KMT2APKMNR1H4HGFACALDH1A1
SCHEMBL10636579 0.80 KMT2A (0.84) KMT2APKMNR1H4HGFACALDH1A1
SCHEMBL4951809 0.80 KMT2A (0.84) KMT2APKMNR1H4HGFACALDH1A1

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