SCHEMBL9230276

SCHEMBL9230276

CC(C)(C)OC(=O)N1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
P2RY6 Q15077 2/20 0.41
P2RY14 Q15391 2/20 0.41
NT5E P21589 1/20 0.41
HDAC1 Q13547 2/20 0.40
P2RX3 P56373 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 4/20 0.36
HSD11B1 P28845 1/20 0.36
HTRA1 Q92743 1/20 0.35
UCHL1 P09936 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
SCHEMBL8304924 0.89 POLB (0.44) POLBABL1RIN1P2RY6P2RY14
SCHEMBL7532354 0.89 POLB (0.42) POLBABL1RIN1P2RY6P2RY14
SCHEMBL9230285 0.88 POLB (0.47) POLBABL1RIN1P2RY6P2RY14
SCHEMBL9230291 0.85 ABL1 (0.41) POLBABL1RIN1P2RX3PARP1
SCHEMBL2707232 0.76 SRC (0.39) POLBP2RX3PARP1MEN1KMT2A
SCHEMBL9230297 0.74 ABL1 (0.40) POLBABL1RIN1PARP1SRC
SCHEMBL2707643 0.73 MMP2 (0.59) KDM4EPKMMEN1KMT2AHTRA1
SCHEMBL2709145 0.73 MMP2 (0.59) KDM4EPKMMEN1KMT2AHTRA1
SCHEMBL9230690 0.72 ABCB1 (0.40) POLBABL1RIN1PARP1SRC
SCHEMBL8639604 0.72 USP30 (0.44) POLBABL1RIN1P2RY6P2RY14

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
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed