SCHEMBL8745478

SCHEMBL8745478

O=[C][C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.51
PSMB5 P28074 3/20 0.51
CHRNA1 P02708 3/20 0.51
CHRNG P07510 3/20 0.51
CHRNB1 P11230 3/20 0.51
CHRND Q07001 3/20 0.51
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
CTSC P53634 2/20 0.49
CNR2 P34972 2/20 0.49
GRIA1 P42261 1/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL28747743 0.84 MME (0.44) CTSCCTSL
SCHEMBL18689376 0.81 CTSL (0.57) GRIA1CTSLCTSS
SCHEMBL2184414 0.81 NAALAD2 (0.48)
SCHEMBL8412847 0.81 CTSL (0.51) KMT2ACTSLCTSBCTSSMEN1
SCHEMBL27718746 0.81 GRIA1 (0.45) CHRNDCTSCGRIA1CTSL
SCHEMBL2183861 0.81 MME (0.41) CTSC
SCHEMBL27899225 0.81 CTSC (0.56) CHRNDCTSC
SCHEMBL9143188 0.81 CTSC (0.67) CTSC
SCHEMBL10724398 0.81 CTSL (0.56) ALDH1A1CTSLCTSBCTSS
SCHEMBL8893265 0.81 CTSC (0.67) CTSC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755404-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-29 EP claimed
WO-1995028418-A2 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-10-26 WO disclosed