SCHEMBL3947628

SCHEMBL3947628

CCc1ccccc1C(=O)ON(CCCO)CCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.41
SCN1A P35498 5/20 0.40
SCN2A Q99250 5/20 0.40
SCN3A Q9NY46 5/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
PTPN1 P18031 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL11525749 0.84 TSHR (0.46) UTS2RSCN1ASCN2ASCN3ATSHR
SCHEMBL31574013 0.78 SCN1A (0.47) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL2190631 0.77 UTS2R (0.47) UTS2RSCN1ASCN2ASCN3ATSHR
SCHEMBL21195156 0.77 TSHR (0.44) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL30455175 0.76 TSHR (0.62) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL11567916 0.76 CYP3A4 (0.42) UTS2RSCN1ASCN2ASCN3ATSHR
SCHEMBL18669066 0.75 TSHR (0.63) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL28947032 0.74 LMNA (0.51) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL11468204 0.73 CYP4A11 (0.44) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL27836082 0.73 SCN1A (0.48) SCN1ASCN2ASCN3ATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020676-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 WO disclosed
WO-2009020673-A1 TEST METHOD FOR DETERMINING COMPOUNDS CAPABLE OF QUENCHING ELECTRONIC SINGLET STATE EXCITATION OF PHOTOACTIVE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 WO disclosed
EP-1962784-A1 COSMETIC W/O EMULSIONS WITH INORGANIC SUNSCREEN STABILIZED WITH CONJUGATED LINOLEIC ACID UNILEVER PLC (GB) 2008-09-03 EP disclosed
WO-2008058982-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 2008-05-22 WO disclosed
WO-2007073909-A1 COSMETIC W/O EMULSIONS WITH INORGANIC SUNSCREEN STABILIZED WITH CONJUGATED LINOLEIC ACID UNILEVER PLC (GB) 2007-07-05 WO disclosed