SCHEMBL3265076

SCHEMBL3265076

CC(C)(c1ccc(OCCCSCCO)cc1)c1ccc(OCCCSCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HTT P42858 2/20 0.46
PLA2G4B P0C869 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
AR P10275 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 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
SCHEMBL3264859 0.92 SMN1; SMN2 (0.49) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL17912 0.83 KDM4E (0.56) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL22215610 0.83 SMN1; SMN2 (0.45) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL9818198 0.81 SMN1; SMN2 (0.68) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL79031 0.81 SMN1; SMN2 (0.68) KDM4EMEN1KMT2APOLBLMNA
1,3-Propanediol SCHEMBL17704098 0.80 SMN1; SMN2 (0.62) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL26736145 0.80 SMN1; SMN2 (0.62) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL22091891 0.80 KDM4E (0.54) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL19978962 0.78 KDM4E (0.52) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL26361752 0.78 SMN1; SMN2 (0.41) KDM4EMEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed