SCHEMBL4258712

SCHEMBL4258712

Cc1ccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccc(SC(F)(F)F)cc2)C(=O)O3)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 4/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 3/20 0.35
PPIA P62937 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 4/20 0.33
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 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
SCHEMBL4262167 0.90 MAPT (0.43) RAB9AALDH1A1MAPTPOLBGAA
SCHEMBL4269518 0.87 ALDH1A1 (0.41) RAB9AALDH1A1MAPTPOLBGAA
SCHEMBL4263517 0.81 MAPK1 (0.37) PPARGPPARAALDH1A1GAAHPGD
SCHEMBL5013432 0.80 RAB9A (0.40) PPARGPPARARAB9AALDH1A1MAPT
SCHEMBL4257406 0.73 HDAC6 (0.43) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL4272823 0.72 OPRK1 (0.50) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL1086423 0.71 TACR2 (0.39)
SCHEMBL4268039 0.71 TACR2 (0.47) ALDH1A1MAPTPOLBKMT2ASMN1; SMN2
SCHEMBL5012782 0.71 ALDH1A1 (0.39) RAB9AALDH1A1MAPTPOLBGAA
SCHEMBL1086300 0.70 HTT (0.38) ALDH1A1MAPTPOLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed