SCHEMBL21177637

SCHEMBL21177637

C=CC(=O)OCCCC.CCO[Si](OCC)(OCC)C(C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
HPGD P15428 1/20 0.61
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 4/20 0.43
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 4/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Isobutane SCHEMBL28280147 0.80 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Hydrogen Peroxide SCHEMBL28268342 0.80 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Isopropyl Alcohol SCHEMBL1101251 0.78 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
Bicarbonate SCHEMBL9856842 0.78 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
Bicarbonate SCHEMBL21715368 0.78 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1331857 0.78
SCHEMBL1330627 0.78
SCHEMBL15037 0.78
SCHEMBL5681395 0.78 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11582291 0.78 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM

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
WO-2019142779-A1 SILICONE ADHESIVE COMPOSITION, ADHESIVE FILM, AND ADHESIVE TAPE 信越化学工業株式会社 2019-07-25 WO disclosed