SCHEMBL3701829

SCHEMBL3701829

C=CCC(C(=O)O)C(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP2C19 P33261 1/20 0.36
CPA1 P15085 1/20 0.36
TSHR P16473 2/20 0.35
FAAH O00519 1/20 0.35
CES2 O00748 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL28236165 0.86 TSHR (0.34) ABCC4MAPTHDAC1HDAC2FFAR3
SCHEMBL10546961 0.83 GRIK1 (0.39) ABCC4MAPTGRIK1GRIK2HDAC1
SCHEMBL11736110 0.82 GRIK1 (0.36) ABCC4MAPTGRIK1GRIK2HDAC1
SCHEMBL5069039 0.77 TSHR (0.36) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL31636 0.77 GRIK1 (0.48) ABCC4MAPTGRIK1GRIK2CYP2C19
SCHEMBL7756489 0.75 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL27930477 0.75 GRIK1 (0.41) GRIK1GRIK2HDAC1HDAC2FFAR3
SCHEMBL5060532 0.75 GRIK1 (0.37) GRIK1GRIK2CPA1TSHRFAAH
SCHEMBL1484027 0.75 HDAC1 (0.46) HDAC1HDAC2FFAR3HDAC3HDAC8
Potassium SCHEMBL31299609 0.74 GRIK1 (0.46) ABCC4MAPTGRIK1GRIK2CYP2C19

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
US-7642073-B2 Using mixture comprising modified alcohol dehydrogenase, ammonia, nicotinamide and 2-ketoacid to generate preferential amino acids CODEXIS, INC. (US) 2010-01-05 US disclosed
US-20080076162-A1 Using mixture comprising modified alcohol dehydrogenase, ammonia, nicotinamide and 2-ketoacid to generate preferential amino acids BIOCATALYTICS, INC. 2008-03-27 US disclosed
US-7202070-B2 Generating phenylalanine and leucine using mutant enzymatic polypeptide; generate mutant enzyme, aminate ketoacid, recover amino acids BIOCATALYTICS, INC. (US) 2007-04-10 US disclosed
US-20020061564-A1 Generating phenylalanine and leucine using mutant enzymatic polypeptide; generate mutant enzyme, aminate ketoacid, recover amino acids CODEXIS, INC. 2002-05-23 US disclosed
WO-2002036742-A2 METHOD FOR CHEMICAL TRANSFORMATION USING A MUTATED ENZYME BIOCATALYTICS, INC. (US) 2002-05-10 WO disclosed
US-4245122-A USING TRICAPRYLMETHYLAMMONIUM CHLORIDE AS A PHASE TRANSFER AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-13 US disclosed