SCHEMBL6620751

SCHEMBL6620751

NC(=O)CC(NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
ECE1 P42892 2/20 0.46
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TMPRSS15 P98073 1/20 0.39
TGFBR1 P36897 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
FOLH1 Q04609 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6620753 1.00 ITGB2 (0.47) ITGB2ICAM1ITGALECE1CA2
SCHEMBL19463542 1.00 ITGB2 (0.47) ITGB2ICAM1ITGALECE1CA2
SCHEMBL16908014 0.86 ECE1 (0.42) ITGB2ICAM1ITGALECE1CA2
SCHEMBL7832189 0.84 CA2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL5611391 0.84 CA2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL473070 0.84 CA2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL3142495 0.81 KMT2A (0.47) CA2CA1KMT2AMRGPRX4FOLH1
SCHEMBL3142506 0.81 KMT2A (0.47) CA2CA1KMT2AMRGPRX4FOLH1
SCHEMBL11401620 0.81 ITGB2 (0.33) ITGB2ICAM1ITGALECE1CA2
SCHEMBL5777336 0.81 ECE1 (0.44) ITGB2ICAM1ITGALECE1CA2

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-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-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP 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
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed