SCHEMBL13522018

SCHEMBL13522018

C=C(C)C(=O)OCCC1(C(=O)OC2(CCCC)C3CC4CC2CC(C)(C4)C3)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL13521894 0.89 TSHR (0.41) TSHRTHRBMAPK1MEN1KMT2A
SCHEMBL685593 0.83 TSHR (0.35) TSHR
SCHEMBL12649328 0.83 TSHR (0.39) TSHRTHRB
SCHEMBL10136387 0.83 TSHR (0.42) TSHRTHRB
SCHEMBL684929 0.82 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL13522017 0.81 MEN1 (0.31) THRBMAPK1MEN1KMT2A
SCHEMBL685590 0.80 TSHR (0.37) TSHR
SCHEMBL684912 0.79 TSHR (0.39) TSHR
SCHEMBL684921 0.79 TSHR (0.39) TSHR
SCHEMBL685525 0.79 TSHR (0.39) TSHR

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
US-8298746-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20100010129-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-14 US disclosed