SCHEMBL6706765

SCHEMBL6706765

O=[C]C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
EPHX2 P34913 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL16330114 0.85 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1934603 0.84 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5030964 0.82 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15981181 0.82 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.82 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12016740 0.80 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2782675 0.80 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44677 0.80 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29381061 0.80 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30667581 0.80 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484735-B Synthesis method of wide-activity cyclic heptapeptide Reniochalistatin A-D 暨南大学 2020-12-15 CN disclosed
CN-111217939-A Conjugate of biotin and cyclodextrin and application thereof 成都理工大学 2020-06-02 CN disclosed
CN-103314010-B Solid phase synthesis of h(gly2)glp-2 NYCOMED GMBH 2015-03-04 CN disclosed
US-20040185499-A1 Method of epitope scanning using fluorescence polarization DIACHEMIX LLC 2004-09-23 US disclosed
US-6177450-B1 MIXTURE OF PERHYDROISOINDENE COMPOUND AND BENEZAMIDE COMPOUND AVENTIS PHARMA S.A. 2001-01-23 US disclosed
WO-1999032428-A2 SYNTHESIS OF DIAMINES INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY (IT) 1999-07-01 WO disclosed