SCHEMBL10778099

SCHEMBL10778099

O=C(O)c1ccc2cc(OC(=O)c3ccccc3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.77
MAPT P10636 4/20 0.77
MEN1 O00255 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.57
PARP10 Q53GL7 1/20 0.57
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HGFAC Q04756 2/20 0.50
MAOA P21397 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
TMPRSS2 O15393 1/20 0.50
MLNR O43193 1/20 0.50
F2 P00734 1/20 0.50

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
SCHEMBL6052888 0.95 KMT2A (0.68) KMT2AMAPTMEN1TDP1CA12
SCHEMBL5698841 0.93 KMT2A (0.66) KMT2AMAPTMEN1TDP1CA12
SCHEMBL8666453 0.91 KMT2A (0.64) KMT2AMAPTMEN1TDP1CA12
SCHEMBL5698842 0.91 KDM4E (0.65) KMT2AMAPTMEN1TDP1CA12
Benzoic Acid SCHEMBL9956914 0.90 KMT2A (0.90) KMT2AMAPTMEN1TDP1CA12
SCHEMBL9793342 0.88 KMT2A (0.60) KMT2AMAPTMEN1TDP1CA12
SCHEMBL1639878 0.87 KMT2A (1.00) KMT2AMAPTMEN1TDP1CA12
SCHEMBL18058690 0.87 KMT2A (0.93) KMT2AMAPTMEN1TDP1CA12
SCHEMBL30523105 0.87 KMT2A (1.00) KMT2AMAPTMEN1TDP1CA12
SCHEMBL6052916 0.87 KMT2A (0.58) KMT2AMAPTMEN1TDP1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 US claimed
US-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 US disclosed
US-3984379-A POLYMERIZATION CATALYSTS TEIJIN LIMITED (JA) 1976-10-05 US disclosed