SCHEMBL8134142

SCHEMBL8134142

CCCCCCCCCCCCCCCCCCOc1cn(C)c(CO)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.39
COMT P21964 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL12949557 0.94 COMT (0.39) COMT
SCHEMBL8128024 0.86 COMT (0.38) COMTGPR84MEN1NR1I2LMNA
SCHEMBL8128383 0.86 SMPD1 (0.36) SMPD1GPR84MEN1NR1I2LMNA
Bromide SCHEMBL9290788 0.84 SMPD1 (0.36) SMPD1GPR84MEN1NR1I2LMNA
SCHEMBL8128852 0.82 S1PR2 (0.40) SMPD1
SCHEMBL9915359 0.81 COMT (0.40) COMTMEN1MAPTKMT2AALDH1A1
SCHEMBL8130321 0.80 ALDH1A1 (0.38) SMPD1PLA2G2AALDH1A1HPGD
SCHEMBL8136252 0.80 COMT (0.56) COMTMEN1NR1I2LMNACHRM2
SCHEMBL8119394 0.80 THRA (0.41)
SCHEMBL12949563 0.79 CYP1A2 (0.33) LMNAMAPTALDH1A1

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
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
EP-0354495-A1 Alkoxy-4(1H)-pyridone derivatives, process for their preparation and their pharmaceutical use GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-02-14 EP disclosed