SCHEMBL9848831

SCHEMBL9848831

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.46
▸ CTSS P25774 7/20 0.46
▸ ATM Q13315 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ACE P12821 1/20 0.41

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
SCHEMBL31407522 0.84 ACE (0.55) CTSKCTSSCTSLCTSBACE
SCHEMBL31407438 0.84 ACE (0.55) CTSKCTSSCTSLCTSBACE
SCHEMBL7464875 0.81 ATM (0.47) CTSKCTSSATMCTSLCTSB
SCHEMBL7464877 0.81 ATM (0.47) CTSKCTSSATMCTSLCTSB
SCHEMBL10886356 0.79 CTSK (0.52) CTSKCTSSATMCTSLCTSB
SCHEMBL21193996 0.79 CTSK (0.52) CTSKCTSSATMCTSLCTSB
SCHEMBL118081 0.79 CTSK (0.54) CTSKCTSSATMCTSLCTSB
SCHEMBL3755737 0.79 CTSK (0.54) CTSKCTSSATMCTSLCTSB
SCHEMBL14923573 0.79 CTSK (0.54) CTSKCTSSATMCTSLCTSB
SCHEMBL19517266 0.77 CTSK (0.56) CTSKCTSSATMCTSLCTSB

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-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 — — EP disclosed
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