SCHEMBL13024902

SCHEMBL13024902

C=CC(=O)OCCCCCCC(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 13)

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 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 3/20 0.36
ATM Q13315 1/20 0.34
APP P05067 2/20 0.31

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
SCHEMBL30294088 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30294076 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27386200 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10339369 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9302438 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24465248 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13024899 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9301638 0.98 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8373745 0.92 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17538840 0.87 TSHR (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838190-B2 Electrophotographic photosensitive member with surface layer of fluororesin particles and polyolefin with perfluoroalkyl group CANON KABUSHIKI KAISHA (JP) 2010-11-23 US disclosed
US-20090130576-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD OF MANUFACTURING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-05-21 US disclosed