SCHEMBL6620628

SCHEMBL6620628

CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 3/20 0.45
PDE4B Q07343 1/20 0.45
CTSK P43235 3/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 1/20 0.44
SCN9A Q15858 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL6620619 1.00 KMT2A (0.47) KMT2AL3MBTL1CTSLPDE4BCTSK
SCHEMBL3735969 0.91 CASP3 (0.47) CTSLCTSKCTSBCTSSCASP3
SCHEMBL4704687 0.85 SMN1; SMN2 (0.47) KMT2AL3MBTL1CTSLPDE4BCTSK
SCHEMBL10825520 0.84 CASP3 (0.54) CTSLCTSKCTSSCASP3
SCHEMBL14917824 0.84 FPR2 (0.54) KMT2AL3MBTL1PDE4BNPC1RAB9A
SCHEMBL19716730 0.84 FPR2 (0.54) KMT2AL3MBTL1PDE4BNPC1RAB9A
SCHEMBL17948796 0.83 CASP3 (0.50) KMT2AL3MBTL1CTSLSCN9ACASP3
SCHEMBL21685721 0.83 CTSK (0.56) KMT2AL3MBTL1CTSLPDE4BCTSK
SCHEMBL7413298 0.82 ELANE (0.46) L3MBTL1CTSLCTSKCTSBCTSS
SCHEMBL6619158 0.82 ELANE (0.46) L3MBTL1CTSLCTSKCTSBCTSS

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 5 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
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed