SCHEMBL3769280

SCHEMBL3769280

C=C(CCOC)C(=O)O.C=C(CCOCCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.36
RARB P10826 1/20 0.35
HPGD P15428 2/20 0.34
CES2 O00748 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
PLA2G4B P0C869 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL125750 0.93 TSHR (0.45) TSHRCYP3A4ALDH1A1RARBHPGD
SCHEMBL5292928 0.91 TSHR (0.43) TSHRCYP3A4ALDH1A1RARBHPGD
SCHEMBL9238627 0.87 CES2 (0.46) TSHRALDH1A1CES2MAPTHSD17B10
SCHEMBL1684990 0.86 CES2 (0.48) TSHRALDH1A1CES2MAPTHSD17B10
SCHEMBL9935605 0.86 CES2 (0.48) TSHRALDH1A1CES2MAPTHSD17B10
SCHEMBL125262 0.85 TSHR (0.45) TSHRCYP3A4ALDH1A1RARBHPGD
SCHEMBL3769282 0.85 TSHR (0.38) TSHRCYP3A4ALDH1A1RARBHPGD
SCHEMBL6273168 0.84 TSHR (0.43) TSHRALDH1A1CES2MAPTHSD17B10
SCHEMBL985177 0.84 TSHR (0.43) TSHRCYP3A4ALDH1A1RARBHPGD
SCHEMBL2230978 0.83 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2HSD17B10THRB

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-7847888-B2 Liquid crystal display device including protective films having predetermined moisture permeability characteristics FUJIFILM CORPORATION (JP) 2010-12-07 US disclosed
US-20080218666-A1 Liquid crystal display device FUJIFILM CORPORATION (JP) 2008-09-11 US disclosed