SCHEMBL6616802

SCHEMBL6616802

C=CCC1=C2[C@H](CCN2C(=O)OCc2ccccc2)N(S(=O)(=O)CCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.42
F2 P00734 3/20 0.42
CTSG P08311 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
F13A1 P00488 4/20 0.37
TGM2 P21980 4/20 0.37
TGM1 P22735 4/20 0.37
CYP2C19 P33261 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL6621004 0.91 ELANE (0.45) ELANEF2CTSGNPC1RAB9A
SCHEMBL6624122 0.88 ELANE (0.52) ELANEF2CTSGNPC1RAB9A
SCHEMBL6618855 0.88 ELANE (0.52) ELANEF2CTSGNPC1RAB9A
SCHEMBL6620157 0.85 ELANE (0.43) ELANEF2CTSGNPC1RAB9A
SCHEMBL6622226 0.85 ELANE (0.42) ELANEF2CTSGNPC1RAB9A
SCHEMBL6618188 0.82 ELANE (0.58) ELANEF2CTSGSMN1; SMN2F13A1
SCHEMBL6620330 0.81 ELANE (0.43) ELANEF2CTSGNPC1RAB9A
SCHEMBL6621227 0.81 ELANE (0.43) ELANEF2CTSGNPC1RAB9A
SCHEMBL6620056 0.80 ELANE (0.46) ELANEF2CTSGNPC1RAB9A
SCHEMBL6620766 0.79 ELANE (0.42) ELANEF2CTSGL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891362-B1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LTD (GB) 2004-03-17 EP disclosed
US-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed