SCHEMBL3983005

SCHEMBL3983005

CCCCCC(=O)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.65
NAAA Q02083 1/20 0.56
HTR7 P34969 1/20 0.55
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
ALPI P09923 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
STS P08842 4/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FAAH O00519 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL11267484 0.98 HSD17B3 (0.66) HSD17B3NAAAHTR7HRH2HRH1
SCHEMBL29959715 0.98 HSD17B3 (0.66) HSD17B3NAAAHTR7HRH2HRH1
SCHEMBL9440245 0.98 HSD17B3 (0.66) HSD17B3NAAAHTR7HRH2HRH1
SCHEMBL9146061 0.98 HSD17B3 (0.66) HSD17B3NAAAHTR7HRH2HRH1
SCHEMBL7220547 0.94 HSD17B3 (0.63) HSD17B3NAAAHTR7HRH2HRH1
Propyl 4-Pyridyl Ketone SCHEMBL4952700 0.86 HSD17B3 (0.61) HSD17B3NAAAHTR7ALPIHDAC3
SCHEMBL18753070 0.86 HSD17B3 (0.84) HSD17B3HTR7STSNPC1LMNA
SCHEMBL13085847 0.84 HSD17B3 (0.85) HSD17B3HTR7STSLMNA
SCHEMBL13085794 0.84 HSD17B3 (0.85) HSD17B3HTR7STSLMNA
Hexane SCHEMBL20446667 0.82 NAAA (0.47) HSD17B3NAAAHRH2HRH1ALPI

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183004-B2 Determination of short-chain SRL alcohol dehydrogenase (DHRS4) as a biomarker for inflammations and infections B.R.A.H.M.S GMBH (DE) 2012-05-22 US disclosed
US-20090136973-A1 DETERMINATION OF SHORT-CHAIN SRL ALCOHOL DEHYDROGENASE (DHRS4) AS A BIOMARKER FOR INFLAMMATIONS AND INFECTIONS B.R.A.H.M.S AKTIENGESELLSCHAFT (DE) 2009-05-28 US disclosed
EP-1856538-B1 DETERMINATION OF SHORT-CHAIN SRL-ALCOHOL DEHYDROGENASE (DHRS4) AS BIOMARKER OF INFLAMMATIONS AND INFECTIONS BRAHMS AG (DE) 2009-05-13 EP disclosed
CN-100448846-C Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate UNIV TSINGHUA (CN) 2009-01-07 CN disclosed
EP-1856538-A1 DETERMINATION OF SHORT-CHAIN SRL-ALCOHOL DEHYDROGENASE (DHRS4) AS BIOMARKER OF INFLAMMATIONS AND INFECTIONS BRAHMS Aktiengesellschaft (DE) 2007-11-21 EP disclosed
CN-1995017-A Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate UNIV TSINGHUA (CN) 2007-07-11 CN disclosed
WO-2006094747-A1 DETERMINATION OF SHORT-CHAIN SRL-ALCOHOL DEHYDROGENASE (DHRS4) AS BIOMARKER OF INFLAMMATIONS AND INFECTIONS B.R.A.H.M.S AKTIENGESELLSCHAFT (DE) 2006-09-14 WO disclosed