SCHEMBL9906982

SCHEMBL9906982

CCCCOCC(O)CN(CCC[Si](OCC)(OCC)OCC)CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RARB P10826 1/20 0.39
PLA2G4B P0C869 1/20 0.38
THRA P10827 3/20 0.37
THRB P10828 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
BCHE P06276 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3973210 0.98 KDM4E (0.40) KDM4EMAPK1TDP1RARBPLA2G4B
SCHEMBL3975010 0.88 ALDH1A1 (0.36) KDM4EMAPK1TDP1PLA2G4BTHRA
SCHEMBL13871224 0.86 ALDH1A1 (0.33) THRATHRBALDH1A1LMNA
SCHEMBL15188998 0.84 KDM4E (0.41) KDM4EMAPK1TDP1RARBPLA2G4B
SCHEMBL3975347 0.84 ALDH1A1 (0.47) KDM4EMAPK1TDP1RARBPLA2G4B
SCHEMBL15188999 0.83 KDM4E (0.41) KDM4EMAPK1TDP1RARBPLA2G4B
SCHEMBL9064593 0.82 RARB (0.47) RARBPLA2G4BTHRALMNATSHR
SCHEMBL9906992 0.82 ALDH1A1 (0.45) KDM4EMAPK1TDP1RARBPLA2G4B
SCHEMBL3976660 0.82 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1HTT
SCHEMBL3981952 0.80 ALDH1A1 (0.57) KDM4EMAPK1TDP1PLA2G4BTHRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637585-B2 Silsesquioxane photoinitiators BASF SE (DE) 2014-01-28 US disclosed
US-20120142793-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2012-06-07 US disclosed