SCHEMBL9681098

SCHEMBL9681098

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2C(=O)O)c(C(=O)O)c1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.41
LMNA P02545 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 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
SCHEMBL9680731 0.88 ALDH1A1 (0.44) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL9681845 0.86 MAPT (0.49) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL9681063 0.85 KDM4E (0.51) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL9682456 0.84 SMN1; SMN2 (0.56) KMT2AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9682440 0.83 ALDH1A1 (0.54) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL10786832 0.81 ALDH1A1 (0.56) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL9681882 0.81 KMT2A (0.57) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL2048011 0.79 ALDH1A1 (0.58) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL9001094 0.79 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9681115 0.78 MAPT (0.45) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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