SCHEMBL9680641

SCHEMBL9680641

O=C(Oc1cccc2c1C(=O)OC2=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.64
PTGES O14684 1/20 0.57
KMT2A Q03164 7/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SLC6A3 Q01959 1/20 0.50
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
MEN1 O00255 1/20 0.49
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PARP1 P09874 1/20 0.47
LMNA P02545 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL9681853 0.87 KMT2A (0.51) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL6367155 0.82 TOP1 (0.69) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL11524597 0.79 TOP1 (0.66) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL2176042 0.79 KDM4E (0.50) KMT2AMAPTSMN1; SMN2HSD17B10GAA
SCHEMBL12827331 0.78 TOP1 (1.00) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL31517375 0.77 KMT2A (0.68) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL2712997 0.77 TOP1 (0.62) TOP1PTGESKMT2AMAPTSMN1; SMN2
SCHEMBL5652996 0.76 L3MBTL1 (0.51) TOP1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL725404 0.75 KMT2A (0.76) TOP1KMT2AMAPTSMN1; SMN2SLC6A3
SCHEMBL29445347 0.75 TYMS (0.57) TOP1PTGESKMT2AMAPTSMN1; SMN2

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 4 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 disclosed
EP-0460687-A2 Process for the preparation of oxydiphthalic anhydride and acyloxyphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-12-11 EP disclosed
US-4147706-A Intermediates for polycyclic quinonoid antibiotics RESEARCH CORPORATION (US) 1979-04-03 US disclosed
US-4070382-A DAUNOMYCINS, ANTITUMOR AGENTS RESEARCH CORPORATION (US) 1978-01-24 US disclosed