SCHEMBL2820639

SCHEMBL2820639

COC(=O)C=CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL14690388 0.87 KMT2A (0.48) MEN1KMT2AHSD17B10HDAC8HDAC3
SCHEMBL16120763 0.82 CA12 (0.45) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL27655259 0.82 SMN1; SMN2 (0.50) MEN1KMT2AHDAC8HDAC3HDAC4
SCHEMBL26032798 0.81 MEN1 (0.51) CDC25AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL12192029 0.80 MEN1 (0.50) MEN1KMT2AHSD17B10SMN1; SMN2MAPT
SCHEMBL16039148 0.79 MEN1 (0.69) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16039147 0.79 MEN1 (0.69) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL29260878 0.78 MEN1 (0.53) CDC25AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30350633 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL19510895 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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
EP-2194139-A1 Biochemical synthesis of 6 amino caproic acid DSM IP Assets B.V. (NL) 2010-06-09 EP disclosed
EP-1706501-B1 BIOCHEMICAL SYNTHESIS OF 6-AMINO CAPROIC ACID DSM IP ASSETS BV (NL) 2010-01-13 EP disclosed
US-20090137759-A1 Biochemical synthesis of 6-amino caproic acid DSM IP ASSETS B.V. (NL) 2009-05-28 US disclosed
US-7491520-B2 by organism cell biosynthesis from 6-aminohex-2-enoic acid or transform 6-amino-2-hydroxy-hexanoic acid to 6-aminohex-2-enoic acid, in presence of an enzyme having alpha , beta -enoate reductase; chemical intermediates for nylon-6 production DSM IP ASSETS B.V. (NL) 2009-02-17 US disclosed
US-20070254341-A1 Biochemical Synthesis of 6-Amino Caproic Acid GENOMATICA, INC. 2007-11-01 US disclosed
EP-1706501-A2 BIOCHEMICAL SYNTHESIS OF 6-AMINO CAPROIC ACID DSM IP Assets B.V. (NL) 2006-10-04 EP disclosed
WO-2005068643-A2 BIOCHEMICAL SYNTHESIS OF 6-AMINO CAPROIC ACID DSM IP ASSETS B.V. (NL) 2005-07-28 WO disclosed