SCHEMBL27655259

SCHEMBL27655259

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL28980452 0.90 CA12 (0.51) SMN1; SMN2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL14690388 0.84 KMT2A (0.48) SMN1; SMN2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL2820639 0.82 CDC25A (0.50) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
SCHEMBL10713815 0.80 CA12 (0.55) SMN1; SMN2ALDH1A1MAPTRAB9ACA12
SCHEMBL10713825 0.80 CA12 (0.55) SMN1; SMN2ALDH1A1MAPTRAB9ACA12
SCHEMBL28449486 0.80 TDP1 (0.59) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL4581242 0.80 TDP1 (0.59) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL24769921 0.79 TDP1 (0.50) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL23810456 0.79 CHRM2 (0.53) SMN1; SMN2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL571198 0.78 CASP3 (0.54) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102285893-A Biochemical synthesis of 6-amino caproic acid 2011-12-21 CN disclosed
CN-1926240-B Biochemical synthesis of 6-aminocaproic acid DSM IP ASSETS BV 2010-06-02 CN disclosed
CN-1926240-A Biochemical Synthesis of 6-Aminocaproic Acid DSM IP ASSETS BV (NL) 2007-03-07 CN disclosed