SCHEMBL4838221

SCHEMBL4838221

CCCCCC(O)C(=O)OC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.55
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16432822 0.98 NAAA (0.58) NAAAGPR84FFAR1EPHX1ALDH1A1
SCHEMBL28750570 0.95 NAAA (0.53) NAAAGPR84FFAR1EPHX1ALDH1A1
SCHEMBL3013650 0.88 NAAA (0.47) NAAAEPHX1ALDH1A1HTTCYP19A1
SCHEMBL28665493 0.85 NAAA (0.57) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL9249724 0.84 NAAA (0.59) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL7218260 0.84 NAAA (0.55) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL8822672 0.83 NAAA (0.58) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL28414407 0.83 NAAA (0.54) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL7222848 0.83 NAAA (0.58) NAAAEPHX1ALDH1A1KMT2AHTT
SCHEMBL7043018 0.81 NAAA (0.56) NAAAEPHX1ALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
EP-1877141-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-16 EP disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed