SCHEMBL6794664

SCHEMBL6794664

CC(C)(C)OC(=O)[C@H](CCN)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
GABRR1 P24046 2/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CPB2 Q96IY4 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL6804922 0.84 NOS1 (0.33) NOS1NOS3NOS2MEN1GAA
SCHEMBL27667862 0.80 GABRR1 (0.45) GABRR1MEN1GAAKMT2ACPB2
SCHEMBL19621729 0.80 GABRR1 (0.35) GABRR1
SCHEMBL856794 0.76 NOS1 (0.40) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL6068166 0.76 GABRR1 (0.50) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL30471715 0.76 NOS1 (0.40) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL7110422 0.76 NOS1 (0.36) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL6797401 0.76 NOS1 (0.36) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL30860145 0.76 NOS1 (0.40) NOS1NOS3NOS2GABRR1MEN1
SCHEMBL19542924 0.74 MAPK1 (0.40) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed