SCHEMBL6804922

SCHEMBL6804922

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL6794664 0.84 NOS1 (0.35) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL13484721 0.78 SRR (0.34) KMT2AMEN1GAA
SCHEMBL7328879 0.78 CA1 (0.34) CA1CA2
SCHEMBL19542924 0.78 MAPK1 (0.40) KMT2ALMNACYP2D6CA1CA2
SCHEMBL20569401 0.77 TDP1 (0.32) NOS1NOS3NOS2
SCHEMBL3205535 0.77 NOS1 (0.34) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL6932447 0.76 KMT2A (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL27747509 0.76 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL17662428 0.75 LMNA (0.32) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL5665277 0.74 TSHR (0.38) NOS1NOS3NOS2

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