SCHEMBL6621891

SCHEMBL6621891

C=CCC1=C2[C@H](CCN2C(=O)OCc2ccccc2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.43
F2 P00734 3/20 0.43
CTSG P08311 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2C P28335 1/20 0.39
FAAH O00519 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 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
SCHEMBL6619041 1.00 ELANE (0.43) ELANEF2CTSGNPC1RAB9A
SCHEMBL6618552 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7406324 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6624131 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6620544 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7989218 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6618031 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6619994 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6617554 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL8132883 0.78 PLA2G2A (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1GAA

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