SCHEMBL9509419

SCHEMBL9509419

CC(C)(C)OC(=O)NC(C(=O)O)C1(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
APLNR P35414 1/20 0.38
CTSL P07711 2/20 0.38
CTSK P43235 9/20 0.38
CTSS P25774 6/20 0.38
CYP2D6 P10635 1/20 0.36
CTSB P07858 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15105955 0.83 CA1 (0.40) CA1CA2CA7KMT2AMEN1
SCHEMBL2377942 0.83 CA1 (0.40) CA1CA2CA7KMT2AMEN1
SCHEMBL16057398 0.83 CA1 (0.44) CA1CA2CA7KMT2AMEN1
SCHEMBL2377936 0.83 CA1 (0.40) CA1CA2CA7KMT2AMEN1
SCHEMBL14216682 0.82 CA1 (0.35) CA1CA2CA7KMT2AMEN1
SCHEMBL14899016 0.82 CA1 (0.35) CA1CA2CA7KMT2AMEN1
SCHEMBL31374987 0.81 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL28269476 0.81 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL1480407 0.81 CA1 (0.39) CA1CA2CA7KMT2AMEN1
SCHEMBL25757600 0.81 CA1 (0.39) CA1CA2CA7KMT2AMEN1

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
EP-0363994-B1 (2R,3S,4S)-ALPHA-(CARBOXYCYCLOPROPYL)GLYCINE SUNTORY LIMITED (JP) 1993-09-22 EP disclosed
US-5068412-A Nervous system disorders such as treatment of epilepsy or Huntington's chorea SUNTORY LIMITED (JP) 1991-11-26 US disclosed