SCHEMBL7219385

SCHEMBL7219385

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.66
THRB P10828 4/20 0.55
THRA P10827 1/20 0.46
KMT2A Q03164 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 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
SCHEMBL1516212 0.92 THRB (0.63) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL883697 0.88 THRB (0.58) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL20827825 0.88 THRB (0.58) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL7219378 0.88 THRB (0.58) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL15064112 0.86 ELANE (0.86) ELANEKMT2AATMRAB9AMAPT
SCHEMBL17791332 0.84 ELANE (0.57) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL1401891 0.83 THRB (0.59) ELANETHRBTHRAKMT2APLK1
SCHEMBL14373534 0.83 THRB (0.48) ELANETHRBKMT2APLA2G1BATG4B
SCHEMBL7219064 0.83 THRB (0.52) ELANETHRBTHRAKMT2APLA2G1B
SCHEMBL7219060 0.83 THRB (0.52) ELANETHRBTHRAKMT2APLA2G1B

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