SCHEMBL4381269

SCHEMBL4381269

COC(=O)CN(CCN)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.41
EPHX2 P34913 1/20 0.40
FABP7 O15540 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CASP3 P42574 1/20 0.37
HTR2A P28223 1/20 0.36
TLR2 O60603 1/20 0.35

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
Hydrochloric Acid SCHEMBL8631515 0.99 KMT2A (0.47) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL4379819 0.86 KMT2A (0.48) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL18515377 0.86 KMT2A (0.48) KMT2AFABP5EPHX2FABP7CA1
Hydrochloric Acid SCHEMBL7876334 0.85 KMT2A (0.47) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL3171599 0.82 KMT2A (0.42) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL24620794 0.81 KMT2A (0.41) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL22092037 0.81 KMT2A (0.39) KMT2AFABP5EPHX2FABP7
SCHEMBL17108591 0.80 KMT2A (0.44) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL20511496 0.80 KMT2A (0.51) KMT2AFABP5EPHX2FABP7CA1
SCHEMBL30426077 0.80 KMT2A (0.51) KMT2AFABP5EPHX2FABP7CA1

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
EP-0840736-B1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS INC (US) 2009-10-07 EP disclosed
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US disclosed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 US disclosed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 EP disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO disclosed