SCHEMBL3364165

SCHEMBL3364165

CCC(CO)(CO)CCOCCC(CC)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL2317873 0.83 TSHR (0.39) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL1236601 0.82 TSHR (0.37) TSHRALDH1A1MAPK1THRBMEN1
SCHEMBL20176140 0.82
SCHEMBL14198260 0.81 THRB (0.39) THRB
Di(Hydroxyethyl)Ether SCHEMBL2943020 0.79 TSHR (0.53) TSHRALDH1A1MAPK1THRBMEN1
SCHEMBL4273860 0.79 ALDH1A1 (0.50) TSHRALDH1A1THRB
SCHEMBL9515111 0.79 TSHR (0.39) TSHRALDH1A1MAPK1THRBMEN1
SCHEMBL29013371 0.78 TSHR (0.56) TSHRTHRBMEN1KMT2AHTT
SCHEMBL3037488 0.78 MEN1 (0.40) TSHRTHRBMEN1KMT2AHTT
Di(Hydroxyethyl)Ether SCHEMBL18817862 0.78 TSHR (0.56) TSHRALDH1A1MAPK1THRBMEN1

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
EP-2145908-B1 Adhesive compounds for oiled steel SIKA TECHNOLOGY AG (CH) 2010-03-24 EP claimed