SCHEMBL8136252

SCHEMBL8136252

CCCCCCCCCCCCCCCCCCOc1cn(-c2ccccc2)c(CO)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.56
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTPN11 Q06124 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FGFR1 P11362 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.38

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
SCHEMBL8138025 0.88 COMT (0.47) COMT
SCHEMBL8136432 0.88 PTPN11 (0.41) COMTMEN1NR1I2LMNACHRM2
Bromide SCHEMBL9290785 0.86 PTPN11 (0.40) COMTMEN1NR1I2LMNACHRM2
SCHEMBL6900184 0.86 COMT (0.63) COMTPTPN11
SCHEMBL6900337 0.85 COMT (0.62) COMTFGFR1
SCHEMBL10445693 0.85 MEN1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8137123 0.82 COMT (0.44) COMTMEN1NR1I2LMNACHRM2
SCHEMBL8130166 0.82 COMT (0.44) COMTMEN1NR1I2LMNACHRM2
SCHEMBL8119797 0.82 COMT (0.44) COMTMEN1NR1I2LMNACHRM2
SCHEMBL8137012 0.82 COMT (0.44) COMTMEN1NR1I2LMNACHRM2

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-0427765-B1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GOEDECKE AG (DE) 2000-01-05 EP disclosed
US-5322844-A Cardiovascular disorders, antiinflammatory agents, antiallergens GODECKE AKTIENGESELLSCHAFT (DE) 1994-06-21 US disclosed
US-5185352-A Treating or preventing cardiovascular disorders GOEDECKE AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0427765-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-05-22 EP disclosed
CN-1040193-A The preparation of alkoxyl group-4 (1H)-Pyridione derivatives GOEDECKE AG (DE) 1990-03-07 CN disclosed
WO-1990001477-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS Gödecke Aktiengesellschaft (DE) 1990-02-22 WO disclosed