SCHEMBL7212815

SCHEMBL7212815

C=CC(=O)Oc1ccc(Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.90
KMT2A Q03164 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
ELANE P08246 1/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
THRA P10827 8/20 0.44
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 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 0.95 THRB (1.00) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL7787037 0.93 THRB (0.97) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL815739 0.90 THRB (0.90) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL2580708 0.88 THRB (0.68) THRBKMT2AELANETHRAPPARG
SCHEMBL7218288 0.88 THRB (0.85) THRBKMT2APLA2G1BATG4BELANE
SCHEMBL14004245 0.88 THRB (0.85) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL22605051 0.88 THRB (0.85) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL74647 0.86 THRB (0.82) THRBKMT2APLA2G1BATG4BTHRA
SCHEMBL3613955 0.86 THRB (0.82) THRBKMT2APLA2G1BATG4BNPC1
SCHEMBL1401854 0.85 THRB (0.91) THRBKMT2ATHRAPLK1ALDH1A1

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