SCHEMBL4265188

SCHEMBL4265188

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccc(C(C)(C)C)cc2)C(=O)O3)cc1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
HSD11B1 P28845 7/20 0.43
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.38
NR3C1 P04150 4/20 0.38

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
SCHEMBL1086223 0.88 HSD11B1 (0.50) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL4256341 0.87 CYP3A4 (0.46) KMT2AALDH1A1GAAMEN1TSHR
SCHEMBL1086549 0.85 GAA (0.47) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL4258713 0.84 MAPT (0.39) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL1086683 0.78 PKM (0.51) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL1086724 0.77 NR3C1 (0.41) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL1086606 0.76 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL1085966 0.74 USP2 (0.51) KMT2AALDH1A1MEN1TSHRNR3C1
SCHEMBL1085986 0.74 SMN1; SMN2 (0.44) MAPTALDH1A1LMNA
SCHEMBL1086224 0.73 SMN1; SMN2 (0.43) MAPTKMT2AALDH1A1GAAMEN1

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-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
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 disclosed
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 disclosed