SCHEMBL9681845

SCHEMBL9681845

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2C(=O)O)c(C(=O)O)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.47
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
KMO O15229 1/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL9681098 0.86 KMT2A (0.49) MAPTTSHRALDH1A1POLBHTT
SCHEMBL9680731 0.83 ALDH1A1 (0.44) MAPTTSHRALDH1A1POLBHTT
SCHEMBL9681063 0.82 KDM4E (0.51) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL3435166 0.82 MAPT (0.62) MAPTTSHRSRD5A2KMOHTT
SCHEMBL9682440 0.81 ALDH1A1 (0.54) MAPTTSHRALDH1A1POLBKMT2A
SCHEMBL2048011 0.80 ALDH1A1 (0.58) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9682429 0.79 KMT2A (0.56) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL9681115 0.79 MAPT (0.45) MAPTTSHRALDH1A1POLBKMT2A
SCHEMBL9682456 0.79 SMN1; SMN2 (0.56) MAPTTSHRSRD5A2ALDH1A1KMT2A
SCHEMBL9680701 0.77 KMT2A (0.48) MAPTTSHRALDH1A1POLBKMT2A

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