SCHEMBL1060331

SCHEMBL1060331

C=CC(=O)OCCCCCCCCS(=O)(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.70
ALDH1A1 P00352 4/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
APP P05067 1/20 0.34
ATM Q13315 1/20 0.34
EPHX2 P34913 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
SCHEMBL169555 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1057660 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1061069 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3732863 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15901731 0.98 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL483500 0.98 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9640128 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11242455 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14882 0.92 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL316981 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53

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-9512034-B2 Hydrophilic film MITSUI CHEMICALS, INC. (JP) 2016-12-06 US disclosed
EP-2256153-B1 HYDROPHILIC FILM MITSUI CHEMICALS INC (JP) 2014-06-25 EP disclosed
US-20110008630-A1 HYDROPHILIC FILM MITSUI CHEMICALS, INC. (JP) 2011-01-13 US disclosed
EP-2256153-A1 HYDROPHILIC FILM Mitsui Chemicals, Inc. (JP) 2010-12-01 EP disclosed