SCHEMBL3347293

SCHEMBL3347293

NC(=O)NCCC[C@H](O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
C3AR1 Q16581 1/20 0.40
OTC P00480 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
DDAH1 O94760 1/20 0.36
OR51E2 Q9H255 1/20 0.36
BCAT2 O15382 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TBXAS1 P24557 1/20 0.33
SHMT1 P34896 1/20 0.33

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
SCHEMBL3346616 1.00 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL11240271 0.94 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3351368 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL28586986 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL11229239 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL18125979 0.83 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL26525742 0.80 C3AR1 (0.37) C3AR1OTCMEN1GAAKMT2A
L-Citrulline SCHEMBL319675 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2
L-Citrulline SCHEMBL31672873 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2
L-Citrulline SCHEMBL319676 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326993-B1 PRODUCTION OF ALPHA-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM EXCELSYN MOLECULAR DEV LTD (GB) 2007-05-23 EP claimed
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US claimed
EP-1326993-A2 PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU Services, Inc. (US) 2003-07-16 EP claimed
WO-2002033110-A2 PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU SERVICES, INC. (US) 2002-04-25 WO claimed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO disclosed