SCHEMBL9026164

SCHEMBL9026164

CCOC(=O)c1cc(CCc2ccccc2C)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
CYP1A2 P05177 1/20 0.43
DAO P14920 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HCAR3 P49019 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL17361365 0.88 POLB (0.46) POLBKMT2ATP53THRBNPSR1
SCHEMBL1150081 0.84 POLB (0.53) POLBKMT2ATP53THRBNPSR1
SCHEMBL15964752 0.81 TP53 (0.49) POLBKMT2ATP53THRBNPSR1
SCHEMBL12797178 0.81 POLB (0.45) POLBKMT2ATP53THRBNPSR1
SCHEMBL1259028 0.81 HCAR2 (0.66) POLBKMT2ATP53THRBNPSR1
SCHEMBL15069078 0.78 NPSR1 (0.46) POLBKMT2ANPSR1L3MBTL1HCAR2
SCHEMBL6366232 0.78 HCAR2 (0.68) POLBKMT2ATP53THRBNPSR1
SCHEMBL20521912 0.78 HCAR2 (0.50) POLBKMT2ATP53THRBNPSR1
SCHEMBL12703567 0.77 HCAR2 (0.67) POLBKMT2ATP53THRBHCAR2
SCHEMBL1233899 0.77 HCAR2 (0.64) POLBKMT2ATP53THRBNPSR1

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-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed