SCHEMBL22840058

SCHEMBL22840058

CC(C)(C)OC(=O)CNC(=O)NC(CCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.44
▸ FOLH1 Q04609 1/20 0.40
▸ ITGB3 P05106 7/20 0.40
▸ ITGA2B P08514 7/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CPB2 Q96IY4 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CTSK P43235 2/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ CPB1 P15086 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
SCHEMBL20274554 1.00 TDP1 (0.44) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL19519807 0.89 TDP1 (0.44) TDP1ITGB3ITGA2BATMCPB2
SCHEMBL563755 0.86 FOLH1 (0.50) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL18786391 0.86 FOLH1 (0.47) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL30947360 0.86 FOLH1 (0.50) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL23504916 0.86 FOLH1 (0.50) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL14079858 0.86 FOLH1 (0.50) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL21235689 0.86 FOLH1 (0.43) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL563754 0.86 FOLH1 (0.50) TDP1FOLH1ITGB3ITGA2BATM
SCHEMBL22878289 0.83 FOLH1 (0.47) TDP1FOLH1ITGB3ITGA2BATM

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
EP-3335736-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2020-12-30 — — EP disclosed
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