SCHEMBL5580447

SCHEMBL5580447

O=C(O)CNCCC(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL10997776 0.83 TBXAS1 (0.49) TBXAS1NPC1RAB9AKMT2ATSHR
SCHEMBL9294432 0.80 TBXAS1 (0.58) TBXAS1NPC1RAB9AKMT2ATSHR
SCHEMBL28687106 0.79 TBXAS1 (0.61) TBXAS1NPC1RAB9AKMT2ATSHR
SCHEMBL743343 0.78 NPC1 (0.43) TBXAS1NPC1RAB9AKMT2AALDH1A1
SCHEMBL8736180 0.76 TBXAS1 (0.47) TBXAS1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29163121 0.75 NPC1 (0.47) TBXAS1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1237700 0.74 NPC1 (0.43) TBXAS1NPC1RAB9AKMT2AALDH1A1
SCHEMBL203700 0.74 TBXAS1 (0.59) TBXAS1KDM4E
SCHEMBL9066509 0.74 TBXAS1 (0.41) TBXAS1NPC1RAB9AKMT2A
SCHEMBL7052930 0.74 ALDH1A1 (0.36) TBXAS1NPC1RAB9AKMT2ATSHR

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-114375333-A Compositions comprising a propeptide of lysyl oxidase and uses thereof 耶达研究及发展有限公司 2022-04-19 CN disclosed
US-20070071752-A1 Sphingosine kinase enzyme JOHNSON & JOHNSON PHARMACEUTICAL R AND D LLC (US) 2007-03-29 US disclosed
US-7112427-B2 Sphingosine kinase enzyme JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT LLC (US) 2006-09-26 US disclosed