SCHEMBL9682440

SCHEMBL9682440

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3cc(Cl)ccc3Cl)cc2C(=O)O)c(C(=O)O)c1)c1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
KMT2A Q03164 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.39
PKM P14618 1/20 0.39
ESR2 Q92731 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL9682456 0.90 SMN1; SMN2 (0.56) ALDH1A1TP53SMN1; SMN2TSHRCASP1
SCHEMBL9682429 0.84 KMT2A (0.56) ALDH1A1TP53SMN1; SMN2KMT2ARAB9A
SCHEMBL9001094 0.83 ALDH1A1 (0.59) ALDH1A1TP53SMN1; SMN2TSHRCASP1
SCHEMBL9681098 0.83 KMT2A (0.49) ALDH1A1SMN1; SMN2TSHRCASP1KMT2A
SCHEMBL9681845 0.81 MAPT (0.49) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL9680731 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRCASP1KMT2A
SCHEMBL11096701 0.80 ALDH1A1 (0.63) ALDH1A1TP53SMN1; SMN2TSHRCASP1
SCHEMBL9681063 0.80 KDM4E (0.51) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL9681115 0.79 MAPT (0.45) ALDH1A1SMN1; SMN2TSHRCASP1NR1H4
SCHEMBL11774032 0.77 KMT2A (0.59) ALDH1A1TP53SMN1; SMN2KMT2ARAB9A

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