SCHEMBL9687652

SCHEMBL9687652

O=C(O)Sc1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.58
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ SLC6A3 Q01959 1/20 0.51
▸ ESR1 P03372 2/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 2/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ METAP1 P53582 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ TOP1 P11387 1/20 0.46
▸ F2 P00734 1/20 0.45
▸ PARP1 P09874 1/20 0.44

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
SCHEMBL942974 0.85 KMT2A (0.61) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL27801075 0.81 KMT2A (0.56) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL725404 0.80 KMT2A (0.76) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Bromide SCHEMBL29588519 0.78 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Hydrochloric Acid SCHEMBL16050041 0.78 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL6967920 0.77 KMT2A (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
Acetic Acid SCHEMBL29588064 0.75 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL31517375 0.75 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL6972608 0.73 KMT2A (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL3826754 0.73 KMT2A (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1

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-5155112-A Antiviral agents; Herpes virus GLAXO GROUP LIMITED (GB) 1992-10-13 — — US disclosed
EP-0430518-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 — — EP disclosed
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