SCHEMBL9680701

SCHEMBL9680701

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3cccc(Br)c3)cc2C(=O)O)c(C(=O)O)c1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 4/20 0.43
GRIK1 P39086 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL9681063 0.84 KDM4E (0.51) KMT2AALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL28132328 0.82 POLB (0.55) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL11277290 0.80 POLB (0.53) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL9681829 0.80 TP53 (0.54) ALDH1A1GAASMN1; SMN2MAPTTDP1
SCHEMBL11776210 0.78 KMT2A (0.64) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL4816596 0.78 KMT2A (0.59) KMT2ACYP1A2CYP2C19TSHRALDH1A1
SCHEMBL11204741 0.77 MAPT (0.49) KMT2ACYP1A2CYP2C19TSHRALDH1A1
SCHEMBL9681845 0.77 MAPT (0.49) KMT2ATSHRALDH1A1MAPTMEN1
SCHEMBL9680731 0.76 ALDH1A1 (0.44) KMT2ATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL9681098 0.76 KMT2A (0.49) KMT2ACYP1A2TSHRALDH1A1CYP2C9

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