SCHEMBL9220407

SCHEMBL9220407

CCC(C)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
CTSS P25774 6/20 0.44
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA2 P00918 1/20 0.43
CYP2D6 P10635 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
APLNR P35414 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CAPN1 P07384 1/20 0.37

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
SCHEMBL9220413 1.00 CTSK (0.44) CTSKCTSSCA1CA7CA2
SCHEMBL28243508 0.83 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL28519064 0.81 CA1 (0.41) CTSKCTSSCA1CA7CA2
SCHEMBL11059855 0.79 CTSK (0.47) CTSKCTSSCA1CA7CA2
SCHEMBL28525464 0.78 CA1 (0.38) CTSKCTSSCA1CA7CA2
SCHEMBL14779117 0.76 CTSK (0.45) CTSKCTSSCA1CA7CA2
SCHEMBL5861940 0.76 HSD17B10 (0.41) CA1CA7CA2MEN1GAA
SCHEMBL4246389 0.76 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL28898391 0.76 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL9424992 0.76 CA1 (0.42) CTSKCTSSCA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed