SCHEMBL7218288

SCHEMBL7218288

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

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.85
THRA P10827 5/20 0.49
ELANE P08246 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PLK1 P53350 1/20 0.45
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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 0.92 THRB (1.00) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL7787037 0.91 THRB (0.97) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL3613955 0.90 THRB (0.82) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL7212815 0.88 THRB (0.90) THRBTHRAELANEKMT2AMEN1
SCHEMBL815739 0.88 THRB (0.90) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL14400631 0.86 THRB (0.76) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL22605051 0.85 THRB (0.85) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL14004245 0.85 THRB (0.85) THRBTHRAKMT2AMEN1PLA2G1B
SCHEMBL74647 0.84 THRB (0.82) THRBTHRAKMT2APLA2G1BATG4B
SCHEMBL4132764 0.83 THRB (0.55) THRBELANEKMT2AMEN1MAPT

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