SCHEMBL1443581

SCHEMBL1443581

NC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
GSTK1 Q9Y2Q3 1/20 0.46
GLO1 Q04760 1/20 0.41
ECE1 P42892 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17479582 1.00 PTGS1 (0.46) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL8503980 1.00 PTGS1 (0.46) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL9067746 0.97 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL1409212 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL153301 0.97 PTGS1 (0.48) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL17479694 0.97 PTGS1 (0.48) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL901171 0.96 PTGS1 (0.47) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL9225749 0.94 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1OPRM1
SCHEMBL6129324 0.94 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL8014827 0.94 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1

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
CN-110791439-B Recombinant aspergillus niger strain for fermentation production of malic acid by genetic engineering construction and application 天津科技大学 2022-04-19 CN disclosed
CN-110791439-A Recombinant aspergillus niger strain for fermentation production of malic acid by genetic engineering construction and application 天津科技大学 2020-02-14 CN disclosed
US-20120231512-A1 PREPARATION OF ALPHA-KETOPIMELIC ACID DSM IP ASSETS B.V. (NL) 2012-09-13 US disclosed
CN-101437953-B Diacylglycerol acyltransferases for alteration of polyunsaturated fatty acids and oil content in oleaginous organisms DU PONT 2012-08-29 CN disclosed
CN-102575270-A Preparation of alpha-ketopimelic acid DSM IP ASSETS BV 2012-07-11 CN disclosed
WO-2011031146-A2 PREPARATION OF ALPHA-KETOPIMELIC ACID DSM IP ASSETS B.V. (NL) 2011-03-17 WO disclosed
CN-1816632-A Acyltransferase for altering polyunsaturated fatty acid and oil content of oleaginous yeast DU PONT (US) 2006-08-09 CN disclosed