SCHEMBL11199811

SCHEMBL11199811

CCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.52
▸ ACE2 Q9BYF1 2/20 0.52
▸ CTSK P43235 4/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 2/20 0.47
▸ ITGB3 P05106 8/20 0.46
▸ ITGA2B P08514 8/20 0.46
▸ CTSB P07858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ BIRC2 Q13490 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
SCHEMBL5689118 0.85 TACR1 (0.55) CTSKCTSLCTSSCTSB
SCHEMBL14488100 0.85 TACR1 (0.55) CTSKCTSLCTSSCTSB
SCHEMBL17039822 0.85 TACR1 (0.55) CTSKCTSLCTSSCTSB
SCHEMBL1001807 0.84 FAAH (0.55) ACEACE2ITGB3ITGA2B
SCHEMBL14969565 0.84 TACR1 (0.55) CTSKCTSSPOLB
SCHEMBL8618495 0.83 CTSK (0.38) ACEACE2CTSKCTSLCTSS
SCHEMBL11285763 0.83 CTSL (0.59) CTSKCTSLCTSSCTSB
SCHEMBL4385669 0.82 POLB (0.62) ACEACE2CTSKPOLBTSHR
SCHEMBL3652453 0.82 POLB (0.62) ACEACE2CTSKPOLBTSHR
SCHEMBL6544705 0.82 NMBR (0.53) —

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-0080305-A1 Antiviral 2'-deoxyuridines, their preparation and use BEECHAM GROUP PLC (GB) 1983-06-01 — — EP disclosed
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