SCHEMBL20143534

SCHEMBL20143534

O=C(Cc1cc(CC(=O)ON2C(=O)CCC2=O)cc(CC(=O)ON2C(=O)CCC2O)c1)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PSMB8 P28062 1/20 0.31

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
SCHEMBL18760910 0.85 PSMB8 (0.32) PSMB8
SCHEMBL5019569 0.83 KMT2A (0.41) KMT2AMAPK1HPGDCYP1A2CYP2C9
SCHEMBL18782758 0.83 PSMB8 (0.31) PSMB8
SCHEMBL18867375 0.83 KMT2A (0.32) KMT2APSMB8
SCHEMBL20404642 0.83 ADORA3 (0.31)
SCHEMBL18768989 0.82 KMT2A (0.33) KMT2APSMB8
SCHEMBL17552381 0.81 PSMB8 (0.31) PSMB8
SCHEMBL23315780 0.80 PSMB8 (0.30) PSMB8
SCHEMBL19575072 0.80 PSMB8 (0.32) PSMB8
SCHEMBL21099964 0.80 PSMB8 (0.30) PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9970055-B2 Method of nucleotide detection ILLUMINA CAMBRIDGE LIMITED (GB) 2018-05-15 US disclosed