SCHEMBL30450181

SCHEMBL30450181

C=CC(=O)OCCCCCCCCCCCCO[Si](C)(C)OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
ALDH1A1 P00352 4/20 0.63
CYP3A4 P08684 2/20 0.63
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
HCAR2 Q8TDS4 3/20 0.37
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.31
HTT P42858 2/20 0.30

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
SCHEMBL30450231 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7759302 0.98 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13129209 0.88 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1469631 0.85 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4596157 0.84 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3293446 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25277799 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16286522 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16537403 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16537330 0.80 TSHR (0.63) 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
CN-110785159-B Dual paste type curable dental composition 可乐丽则武齿科株式会社 2023-06-09 CN disclosed