SCHEMBL4189542

SCHEMBL4189542

CCC(=O)N(C(=O)CC)C(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 2/20 0.61
APAF1 O14727 1/20 0.61
RECQL P46063 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
ALOX15 P16050 1/20 0.52
DNMT1 P26358 3/20 0.51
ACE P12821 2/20 0.51
PKM P14618 2/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL4189543 1.00 KDM4E (0.61) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL22462701 0.89 KDM4E (0.60) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL30888272 0.89 KDM4E (0.60) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL839527 0.87 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL839528 0.87 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL1162356 0.87 SMN1; SMN2 (0.65) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL1162357 0.87 SMN1; SMN2 (0.65) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL30735894 0.84 KDM4E (0.64) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL3855611 0.84 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL29212821 0.84 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL

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
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US claimed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 US claimed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US disclosed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO disclosed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 US disclosed