SCHEMBL2422744

SCHEMBL2422744

CCNC(=O)N1CCCC[C@@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.48
REN P00797 4/20 0.48
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGA4 P13612 1/20 0.46
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.45
PEPD P12955 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL2422749 1.00 ACE (0.48) ACERENITGB3ITGB1ITGAV
SCHEMBL9728258 0.95 ACE (0.53) ACERENITGB3ITGB1ITGAV
SCHEMBL11858012 0.83 NPSR1 (0.54) FKBP1A
SCHEMBL23793783 0.81 KMT2A (0.46) CYP2C19KDM4EF2KMT2A
SCHEMBL19347965 0.81 KMT2A (0.46) LMNACYP2C19F2KMT2A
SCHEMBL2767147 0.80 MME (0.48) ACERENITGB3ITGB1ITGAV
SCHEMBL8899040 0.80 MME (0.48) ACERENITGB3ITGB1ITGAV
SCHEMBL14635889 0.79 ALDH1A1 (0.53) HSD17B10KMT2A
SCHEMBL15290562 0.79 ACE (0.42) ACEREN
SCHEMBL17285637 0.79 ACE (0.51) ACERENITGB3ITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43390-E1 Pleuromutilin derivatives as antimicrobials GLAXOSMITHKLINE LLC (US) 2012-05-15 US disclosed
EP-1930330-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM LTD (GB) 2011-09-21 EP disclosed
EP-1028961-B3 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2008-12-03 EP disclosed
EP-1930330-A1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM PLC (GB) 2008-06-11 EP disclosed
US-RE39128-E1 ANTIBACTERIA DRUG; RESPIRATORY SYSTEM DISORDERS; OTITIS SMITHKLINE BEECHAM P.L.C. (GB) 2006-06-13 US disclosed
CN-1205211-C Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM PLC (GB) 2005-06-08 CN disclosed
EP-1028961-B1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2004-09-29 EP disclosed
EP-1452534-A1 PLEUROMUTLIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2004-09-01 EP disclosed
US-6281226-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-28 US disclosed
CN-1283197-A Pleuromutilin derivatives as antimicrobial agents SMITHKLINE BEECHAM PLC (GB) 2001-02-07 CN disclosed
EP-1028961-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2000-08-23 EP disclosed
WO-1999021855-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-06 WO disclosed