SCHEMBL10833593

SCHEMBL10833593

C=CC(=O)OOCC.CCCC[Sn]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 5/20 0.37
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
THRA P10827 2/20 0.34
ATM Q13315 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 1/20 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
SCHEMBL29363961 0.84 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL345924 0.84
SCHEMBL30102503 0.84 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL27716327 0.82
Propane SCHEMBL10776997 0.82 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL10833584 0.82 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
Dodecanol SCHEMBL471804 0.81 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
Ethylene Glycol SCHEMBL11678086 0.79 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
Benzene SCHEMBL28734472 0.79 TSHR (0.41) TSHRHPGDTHRBALDH1A1CYP3A4
1,6-Hexanediol SCHEMBL28423395 0.78 TSHR (0.41) TSHRHPGDTHRBALDH1A1CYP3A4

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
EP-0183764-A1 COATING SUBSTRATES. WIGGINS TEAPE GROUP LTD (GB) 1986-06-11 EP disclosed
WO-1986000084-A1 COATING SUBSTRATES THE WIGGINS TEAPE GROUP LIMITED (GB) 1986-01-03 WO disclosed