SCHEMBL7273399

SCHEMBL7273399

CC(C)(C)OC(=O)NC([C]=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
CTSS P25774 5/20 0.49
CTSK P43235 4/20 0.49
CTSB P07858 2/20 0.49
MMP9 P14780 1/20 0.43
UGT2B7 P16662 1/20 0.40
ACACB O00763 1/20 0.39
CTSL P07711 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4A O75164 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1992447 0.83 CTSK (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL1995124 0.83 CTSK (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL1992449 0.83 CTSK (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL13715427 0.82 MMP9 (0.59) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL31230469 0.80 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL9952163 0.80 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL11585053 0.80 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL11086941 0.79 CTSS (0.47) CTSSCTSKCTSBCTSL
SCHEMBL6832916 0.79 GABRB1 (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL851252 0.79 GABRB1 (0.52) GABRB1GABRB2CTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040541-C Polypeptide compound and process for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-04 CN disclosed
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed