SCHEMBL80630

SCHEMBL80630

C=C(C)C(=O)NCCCNC(=S)NCC(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.33
KDM1A O60341 5/20 0.33
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX12 P18054 1/20 0.30
RAB9A P51151 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
SCHEMBL136474 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL93030 0.79 KMT2A (0.39) ALDH1A1SMN1; SMN2LMNAGAAKDM1A
SCHEMBL1073008 0.78 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL632876 0.75 KDM4E (0.46) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL3272669 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL17676866 0.73 KDM4E (0.38) ALDH1A1MEN1KMT2AEPHX1NPC1
SCHEMBL16309325 0.73 KDM4E (0.44) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL907569 0.71 KDM4E (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL20725245 0.71 EPHX1 (0.60) ALDH1A1EPHX1
SCHEMBL24496157 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
US-20050074478-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2005-04-07 US disclosed