SCHEMBL8304924

SCHEMBL8304924

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
P2RY6 Q15077 2/20 0.39
P2RY14 Q15391 2/20 0.39
NT5E P21589 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HDAC1 Q13547 2/20 0.37
HTRA1 Q92743 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
SRC P12931 4/20 0.35
HSD11B1 P28845 1/20 0.35
P2RX3 P56373 1/20 0.34

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
SCHEMBL9230276 0.89 POLB (0.46) POLBABL1RIN1P2RY6P2RY14
SCHEMBL7532354 0.84 POLB (0.42) POLBABL1RIN1P2RY6P2RY14
SCHEMBL9230285 0.82 POLB (0.47) POLBABL1RIN1P2RY6P2RY14
SCHEMBL9230291 0.77 ABL1 (0.41) POLBABL1RIN1SRCP2RX3
SCHEMBL9230297 0.71 ABL1 (0.40) POLBABL1RIN1SRC
SCHEMBL8303221 0.71 CYP1A2 (0.39) POLBCYP1A2CYP3A4CYP2C19
SCHEMBL9230690 0.70 ABCB1 (0.40) POLBABL1RIN1CYP1A2CYP3A4
SCHEMBL8639604 0.69 USP30 (0.44) POLBABL1RIN1P2RY6P2RY14
SCHEMBL30442173 0.68 ABL1 (0.46) POLBABL1RIN1P2RY6P2RY14
SCHEMBL26198800 0.68 ABL1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646596-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1999-05-26 EP disclosed
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed