SCHEMBL6579587

SCHEMBL6579587

C=C(C)C(=O)NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
OTC P00480 1/20 0.47
NOS2 P35228 6/20 0.47
NOS1 P29475 5/20 0.47
NOS3 P29474 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.46
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
DDAH1 O94760 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43

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
SCHEMBL686695 1.00 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL10063628 1.00 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL19405258 0.98 NOS2 (0.49) GSROTCNOS2NOS1NOS3
SCHEMBL10187383 0.95 OTC (0.53) GSROTCNOS2NOS1NOS3
SCHEMBL14845859 0.94 DPP7 (0.55) GSROTCNOS2NOS1NOS3
SCHEMBL10187386 0.89 NOS2 (0.43) GSROTCNOS2NOS1NOS3
SCHEMBL11924513 0.88 NOS2 (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL15631779 0.86 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL826656 0.86 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL12435518 0.85 GSR (0.47) GSROTCNOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254092-B1 RESOLUTION OF DL-RACEMIC MIXTURES DEGUSSA (DE) 2004-01-21 EP disclosed
US-6673942-B1 PREFERENTIAL CRYSTALLIZATION, PHYSICAL SEPARATION DEGUSSA AG (DE) 2004-01-06 US disclosed
EP-1254092-A1 RESOLUTION OF DL-RACEMIC MIXTURES Degussa AG (DE) 2002-11-06 EP disclosed
WO-2001058835-A1 RESOLUTION OF DL-RACEMIC MIXTURES DEGUSSA AG (DE) 2001-08-16 WO disclosed
EP-0225503-B1 RESOLUTION SYSTEM YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1989-08-02 EP disclosed
EP-0225503-A1 Resolution system YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1987-06-16 EP disclosed