SCHEMBL7878490

SCHEMBL7878490

CCC(C)[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.43
CTSS P25774 6/20 0.43
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA2 P00918 1/20 0.42
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
APLNR P35414 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
SCHEMBL22662736 0.82 CTSK (0.41) CTSKCTSSCA1CA7CA2
SCHEMBL20881200 0.82 CTSK (0.41) CTSKCTSSCA1CA7CA2
SCHEMBL6588593 0.80 CA1 (0.43) CTSKCTSSCA1CA7CA2
SCHEMBL5985561 0.77 CA1 (0.41) CTSKCTSSCA1CA7CA2
SCHEMBL28754336 0.76 CA12 (0.40) CTSKCTSSCA1CA7CA2
SCHEMBL8864786 0.75 CTSK (0.43) CTSKCTSSCA1CA7CA2
SCHEMBL8728468 0.75 CTSK (0.43) CTSKCTSSCA1CA7CA2
SCHEMBL166623 0.74 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL738693 0.72 CA1 (0.43) CTSKCTSSCA1CA7CA2
SCHEMBL5167220 0.71 CA1 (0.40) 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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed