SCHEMBL5913005

SCHEMBL5913005

C=CC(=O)OCCCCCCO[SiH](OCCC)OCCC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.62
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HCAR2 Q8TDS4 4/20 0.44
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.41
NAAA Q02083 1/20 0.38
EPHX1 P07099 1/20 0.36
THRA P10827 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
SCHEMBL107214 0.88 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL109048 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16286805 0.84 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3389472 0.83 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9711094 0.82 TSHR (0.78) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10490990 0.82 TSHR (0.78) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9442075 0.82 TSHR (0.84) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL811560 0.82 TSHR (0.84) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21218910 0.82 TSHR (0.84) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22607678 0.82 TSHR (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060210929-A1 Photosensitive composition and forming process of structured material using the composition CANON KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed