SCHEMBL3386644

SCHEMBL3386644

CCCCN[C@@H](CCS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.49
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
GGT1 P19440 2/20 0.39
ALOX15 P16050 2/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
MME P08473 1/20 0.37
LCK P06239 1/20 0.36

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
SCHEMBL3386652 1.00 NOD1 (0.49) NOD1ITGB3ITGA2BGGT1ALOX15
SCHEMBL11582459 0.96 NOD1 (0.47) NOD1ITGB3ITGA2BGGT1ALOX15
SCHEMBL3260935 0.95 NOD1 (0.51) NOD1ITGB3ITGA2BGGT1GPR84
SCHEMBL3260932 0.95 NOD1 (0.51) NOD1ITGB3ITGA2BGGT1GPR84
SCHEMBL11162391 0.95 NOD1 (0.51) NOD1ITGB3ITGA2BGGT1GPR84
SCHEMBL10630165 0.93 NOD1 (0.53) NOD1ITGB3ITGA2BGPR84MAPT
SCHEMBL18095162 0.93 NOD1 (0.53) NOD1ITGB3ITGA2BGPR84MAPT
SCHEMBL10630157 0.93 NOD1 (0.53) NOD1ITGB3ITGA2BGPR84MAPT
SCHEMBL2367833 0.93 NOD1 (0.53) NOD1ITGB3ITGA2BGPR84MAPT
SCHEMBL10630151 0.93 NOD1 (0.53) NOD1ITGB3ITGA2BGPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803180-B2 S-adenosylmethionine (SAM) synthase variants for the synthesis of artificial cofactors Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2017-10-31 US disclosed
US-20170240870-A9 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2017-08-24 US disclosed
EP-3066197-B1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2017-08-16 EP disclosed
US-20160264946-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS LEIBNIZ-INSTITUT FÜR PFLANZEN-BIOCHEMIE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2016-09-15 US disclosed
EP-3066197-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut Für Pflanzenbiochemie Stiftung Des Offentlichen Rechts (DE) 2016-09-14 EP disclosed
WO-2015067331-A1 S-ADENOSYLMETHIONINE (SAM) SYNTHASE VARIANTS FOR THE SYNTHESIS OF ARTIFICIAL COFACTORS Leibniz-Institut für Pflanzenbiochemie Stiftung des öffentlichen Rechts (DE) 2015-05-14 WO disclosed
EP-2871234-A1 S-Adenosylmethionine (SAM) synthase variants for the synthesis of artificial cofactors Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2015-05-13 EP disclosed
EP-1725668-B1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-12-15 EP disclosed
US-20090155911-A1 Genetically modified plants and their applications in phytoremediation COMMISSIARIAT A L'ENERGIE ATOMIQUE (FR) 2009-06-18 US disclosed
EP-1940880-A2 TREATING DIABETES USING INHIBITORS OF IL-1 Novo Nordisk A/S (DK) 2008-07-09 EP disclosed
WO-2007042524-A2 TREATING DIABETES USING INHIBITORS OF IL-1 NOVO NORDISK A/S (DK) 2007-04-19 WO disclosed
EP-1725668-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-11-29 EP disclosed
WO-2005093078-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-10-06 WO disclosed
WO-2005090583-A1 GENETICALLY MODIFIED PLANTS AND THEIR APPLICATIONS IN PHYTOREMEDIATION. COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-09-29 WO disclosed