SCHEMBL2428126

SCHEMBL2428126

O=C(O)C1C[C@@H]2CCN1C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
ACE P12821 5/20 0.34
AGTR2 P50052 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL901345 1.00 ATM (0.35) ATMACEAGTR2ALDH1A1SMN1; SMN2
SCHEMBL15265282 0.90 ALDH1A1 (0.42) ACEALDH1A1SMN1; SMN2REN
SCHEMBL572684 0.86 ACE (0.36) ATMACEALDH1A1SMN1; SMN2
SCHEMBL357830 0.84 ATM (0.34) ATMACEAGTR2ALDH1A1SMN1; SMN2
SCHEMBL4024975 0.84
Hydrochloric Acid SCHEMBL14343221 0.84 ACE (0.35) ATMACEALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14343353 0.84 ACE (0.35) ATMACEALDH1A1SMN1; SMN2
Bromide SCHEMBL28148076 0.84 ACE (0.35) ATMACEALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5473763 0.84 ACE (0.35) ATMACEALDH1A1SMN1; SMN2
SCHEMBL30369975 0.83

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 8 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