SCHEMBL4286159

SCHEMBL4286159

CCCCOC(=O)CC(O)CC(O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTR2C P28335 1/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAD52 P43351 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL6155660 0.92 NAAA (0.42) NAAADGKAALDH1A1CYP2C9CYP2C19
SCHEMBL8798167 0.92 NAAA (0.42) NAAADGKAALDH1A1CYP2C9CYP2C19
SCHEMBL6400340 0.91 ALDH1A1 (0.35) NAAADGKAALDH1A1L3MBTL1KDM4E
SCHEMBL6155363 0.82 ALDH1A1 (0.34) NAAADGKAALDH1A1MAPTNPSR1
SCHEMBL27502960 0.81 KDM4E (0.50) NAAADGKAALDH1A1MAPTNPSR1
SCHEMBL4264982 0.81 FAAH (0.45) NAAADGKAALDH1A1CYP2C9CYP2C19
SCHEMBL15483303 0.81 FAAH (0.45) NAAADGKAALDH1A1CYP2C9CYP2C19
SCHEMBL6153346 0.80 ALDH1A1 (0.52) NAAADGKAALDH1A1MAPTNPSR1
SCHEMBL16321096 0.80 NAAA (0.42) NAAADGKAALDH1A1MAPTNPSR1
SCHEMBL2695604 0.79 NAAA (0.44) NAAADGKAALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9228214-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2016-01-05 US disclosed
US-20150152451-A1 PROCESS FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXY KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2015-06-04 US disclosed
US-8980592-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2015-03-17 US disclosed
US-20090221044-A1 Process for the Enantioselective Enzymatic Reduction of Hydroxy Keto Compounds IEP GMBH (DE) 2009-09-03 US disclosed
WO-2008059366-A2 PROCESS FOR THE PREPARATION OF CIS-1, 3-DIOLS FROM THE CORRESPONDING BETA-HYDROXY KETONES EMPLOYING MICROBIAL KETONE REDUCTASES PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed