SCHEMBL7276364

SCHEMBL7276364

COC(=O)C(Cc1c[nH]cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.44
TACR1 P25103 2/20 0.42
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL1486139 1.00 KLK5 (0.44) KLK5TACR1GSTP1GSTM2TDP1
SCHEMBL27608994 0.94 MAPT (0.45) TACR1TDP1POLBMAPTMEN1
SCHEMBL2853525 0.94 MAPT (0.45) TACR1TDP1POLBMAPTMEN1
SCHEMBL17534655 0.91 KLK5 (0.42) KLK5TACR1TDP1POLBNPSR1
SCHEMBL17534650 0.91 KLK5 (0.42) KLK5TACR1TDP1POLBNPSR1
SCHEMBL17534657 0.91 KLK5 (0.42) KLK5TACR1TDP1POLBNPSR1
SCHEMBL31270971 0.88 KLK5 (0.42) KLK5TDP1POLBMAPTMEN1
SCHEMBL22656761 0.88 KLK5 (0.38) KLK5TACR1GSTP1GSTM2TDP1
SCHEMBL22656762 0.88 KLK5 (0.38) KLK5TACR1GSTP1GSTM2TDP1
SCHEMBL30910798 0.88 REN (0.41) TDP1MAPTCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070710-A2 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 2001-01-24 EP disclosed
CN-1040541-C Polypeptide compound and process for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-04 CN disclosed
EP-0869126-A1 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 1998-10-07 EP disclosed
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
CN-1059729-A Novel polypeptide compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed