SCHEMBL5510947

SCHEMBL5510947

O=C(O)CCCCNC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.63
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
CXCR4 P61073 1/20 0.50
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PRMT1 Q99873 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9766529 0.98 EPHX1 (0.66) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL6664493 0.98 EPHX1 (0.66) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL6260014 0.98 EPHX1 (0.66) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL2677321 0.94 EPHX2 (0.64) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL16439999 0.92 EPHX2 (0.62) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL16439978 0.92 EPHX2 (0.62) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL16440007 0.92 EPHX2 (0.62) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL1288428 0.92 EPHX2 (0.61) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL16440004 0.90 EPHX2 (0.59) EPHX1EPHX2ALDH1A1SMN1; SMN2CXCR4
SCHEMBL24642929 0.88 EPHX1 (0.53) EPHX1EPHX2ALDH1A1KMT2APRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524559-B Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use 西藏海思科药业集团股份有限公司 2016-09-28 CN disclosed
CN-102633672-B A kind of preparation method of organic salt of caprylamide valeric acid YANTAI HENGDIKE ENERGY TECHNOLOGY Co.,Ltd. (CN) 2016-03-16 CN disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
CN-102633672-A Preparation method of organic salt of caprylamide valeric acid JIANDONG XIU 2012-08-15 CN disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed