SCHEMBL2420874

SCHEMBL2420874

CN1CCC(CSCC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NCF1 P14598 1/20 0.41
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL2421581 0.81 ALDH1A1 (0.41) ALDH1A1CYP2D6HIF1A
SCHEMBL2421578 0.81 ALDH1A1 (0.41) ALDH1A1CYP2D6HIF1A
SCHEMBL16558074 0.78 CYP2D6 (0.48) ALDH1A1CYP2D6HIF1A
SCHEMBL19249605 0.77 NCF1 (0.43) ALDH1A1NCF1
SCHEMBL805205 0.74 NCF1 (0.48) ALDH1A1NCF1
SCHEMBL2671746 0.73 NCF1 (0.43) NCF1
Hydrochloric Acid SCHEMBL6709111 0.72 NCF1 (0.46) ALDH1A1NCF1
SCHEMBL2419204 0.71 ALDH1A1 (0.42) ALDH1A1CYP2D6HIF1A
SCHEMBL11696616 0.71 CYP2D6 (0.44) ALDH1A1CYP2D6HIF1A
SCHEMBL12617222 0.71 ITGB3 (0.52) NCF1

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 10 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
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
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