SCHEMBL9508990

SCHEMBL9508990

C=CC(CC(=O)C(C)NC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
ACE P12821 1/20 0.49
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
KLK5 Q9Y337 2/20 0.47
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.44
REN P00797 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9508444 0.89 KLK5 (0.53) ATMACECTSSCTSKCTSL
SCHEMBL9508971 0.82 ACE (0.55) ATMACECTSSCTSKCTSL
SCHEMBL1207885 0.79 ATM (0.57) ATMACECTSSCTSKCTSL
SCHEMBL13937947 0.79 ATM (0.57) ATMACECTSSCTSKCTSL
SCHEMBL5732519 0.79 ATM (0.57) ATMACECTSSCTSKCTSL
SCHEMBL1991941 0.79 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL835353 0.79 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL14738131 0.79 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL9508989 0.77 MME (0.39) KMT2AMEN1NPSR1
SCHEMBL6875883 0.76 KLK5 (0.57) ATMACECTSSCTSKCTSL

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-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed