SCHEMBL8329644

SCHEMBL8329644

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL6932447 0.87 KMT2A (0.36) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL1767929 0.87 KMT2A (0.36) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL4745625 0.85 MEN1 (0.34) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL3809238 0.82 NOS1 (0.33) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL38661123 0.82 CA2 (0.38) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL473544 0.82 NOS1 (0.33) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL28058283 0.80 KMT2A (0.36) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL1058519 0.78 CACNA2D1 (0.37) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL13312676 0.78 NOS1 (0.32) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL27978913 0.78 GABRR1 (0.39) NOS1NOS3NOS2KMT2AMEN1

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed