SCHEMBL7219072

SCHEMBL7219072

C=C(C)COc1ccc(S(=O)(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 2/20 0.45
PSMB5 P28074 1/20 0.44
THRB P10828 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GPR174 Q9BXC1 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4661089 0.88 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL7219373 0.83 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL9616101 0.82 PKM (0.57) GAANPSR1ALDH1A1LMNAKMT2A
SCHEMBL7219384 0.81 ALDH1A1 (0.50) GAANPSR1ALDH1A1LMNAKMT2A
SCHEMBL9189031 0.79 CA12 (0.56) ALDH1A1LMNAKMT2AMEN1CA2
SCHEMBL7219077 0.79 THRB (0.52) GAANPSR1ALDH1A1LMNAKMT2A
SCHEMBL7786879 0.78 ACACB (0.44) ALDH1A1KMT2APSMB5THRBTRPM8
SCHEMBL11889489 0.78 CA2 (0.69) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL1128713 0.77 GPR174 (0.49) GAANPSR1ALDH1A1LMNAKMT2A
SCHEMBL5400294 0.77 GPR174 (0.49) GAANPSR1ALDH1A1LMNAKMT2A

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
US-6624236-B1 Sol-gel-condensable cyclosiloxane(meth) acrylates; dentistry 3M ESPE AG (DE) 2003-09-23 US disclosed
EP-1141094-B1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M ESPE AG (DE) 2002-07-24 EP disclosed
EP-1141094-A1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M Espe AG (DE) 2001-10-10 EP disclosed
WO-2000042092-A1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M ESPE AG (DE) 2000-07-20 WO disclosed