SCHEMBL22526366

SCHEMBL22526366

COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CYP2D6 P10635 1/20 0.40
CTSK P43235 7/20 0.37
HTT P42858 1/20 0.37
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL26205590 1.00 CA2 (0.43) CA2CA1CA7CYP2D6CTSK
SCHEMBL2840815 0.88 CA1 (0.44) CA2CA1CA7CYP2D6CTSK
SCHEMBL22502689 0.87 CA1 (0.43) CA2CA1CA7CYP2D6CTSK
SCHEMBL22526363 0.87 CA1 (0.43) CA2CA1CA7CYP2D6CTSK
SCHEMBL22502687 0.87 CA1 (0.43) CA2CA1CA7CYP2D6CTSK
SCHEMBL22526271 0.82 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL26205581 0.82 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL26656189 0.82 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL26656193 0.82 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL11046024 0.77 CA1 (0.43) CA2CA1CA7CYP2D6CTSK

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-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed