SCHEMBL4448432

SCHEMBL4448432

C=C(C)C(=O)OC(C)C(CCCC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.35
BHMT Q93088 2/20 0.34
FOLH1 Q04609 1/20 0.33
ENPEP Q07075 2/20 0.32
GSTK1 Q9Y2Q3 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 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
SCHEMBL4908130 0.87 TSHR (0.37) TSHRFOLH1ALDH1A1
SCHEMBL28837644 0.82 TSHR (0.32) TSHRFOLH1ALDH1A1SLC22A6FFAR4
SCHEMBL10710811 0.80 TSHR (0.40) TSHRCYP1A2ENPEPGSTK1GABRP
SCHEMBL673207 0.80 TDP1 (0.45) TSHRALDH1A1LMNA
SCHEMBL28108446 0.78 TSHR (0.36) TSHRCYP1A2BHMTFOLH1ENPEP
SCHEMBL4906146 0.77 TSHR (0.39) TSHRCYP1A2FOLH1ENPEPGABRP
SCHEMBL9270778 0.77 TSHR (0.40) TSHRALDH1A1
SCHEMBL611588 0.76 FOLH1 (0.41) TSHRCYP1A2FOLH1
Ammonia Solution, Strong SCHEMBL28364542 0.76 TSHR (0.39) TSHRCYP1A2FOLH1ENPEPGABRP
SCHEMBL27500180 0.76 FFAR4 (0.40) TSHRENPEPGSTK1ALDH1A1SLC22A6

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-2114350-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2009-11-11 EP disclosed
WO-2008082881-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-10 WO disclosed