SCHEMBL9808752

SCHEMBL9808752

C=CC(=O)OCCCC=C[SiH](C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 3/20 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
SCHEMBL48743 0.80 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4623390 0.79 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6053929 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9808658 0.78 TSHR (0.50) TSHRALDH1A1HPGDTHRBMAPT
SCHEMBL4566185 0.77 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9180869 0.76 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4411818 0.76 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5975076 0.76 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4411816 0.76 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13945620 0.76 TSHR (0.79) 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-5077362-A Thin film coatings SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-12-31 US disclosed
EP-0390078-A1 Vinylidene fluoride copolymer and process for producing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-10-03 EP disclosed