SCHEMBL7212835

SCHEMBL7212835

C=CC(=O)Oc1ccc(S(=O)(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.80
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
ELANE P08246 2/20 0.45
CA2 P00918 1/20 0.45
KMT2A Q03164 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ENPP1 P22413 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL4596017 0.89 THRB (1.00) THRBMAPTKMT2APLA2G1BATG4B
SCHEMBL7787037 0.88 THRB (0.97) THRBMAPTKMT2APLA2G1BATG4B
SCHEMBL815739 0.85 THRB (0.90) THRBMAPTKMT2APLA2G1BATG4B
SCHEMBL7212815 0.85 THRB (0.90) THRBMAPTELANEKMT2APLA2G1B
SCHEMBL268416 0.84 PKM (0.60) THRBMAPTPOLBPKMELANE
SCHEMBL7219371 0.83 THRB (0.80) THRBMAPTELANEKMT2APLA2G1B
SCHEMBL14004245 0.82 THRB (0.85) THRBMAPTKMT2APLA2G1BATG4B
SCHEMBL22605051 0.82 THRB (0.85) THRBMAPTKMT2APLA2G1BATG4B
SCHEMBL7218288 0.82 THRB (0.85) THRBMAPTELANEKMT2APLA2G1B
SCHEMBL7219077 0.82 THRB (0.52) THRBMAPTPOLBPKMELANE

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