SCHEMBL3286994

SCHEMBL3286994

C=C(C)C(=O)OCOCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.38
HSD11B1 P28845 1/20 0.37
TSHR P16473 3/20 0.36
GBA1 P04062 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 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
SCHEMBL1061355 0.87 ALDH1A1 (0.51) ALDH1A1THRBHSD11B1TSHR
SCHEMBL2739906 0.83 HSD11B1 (0.41) ALDH1A1HSD11B1TSHRGBA1UGCG
SCHEMBL13963885 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13361710 0.79 HSD11B1 (0.40) HSD11B1GBA1UGCGGBA2
SCHEMBL13963886 0.78
SCHEMBL13963864 0.78 PRKCA (0.35) ALDH1A1HSD11B1
SCHEMBL13963889 0.78
SCHEMBL13963860 0.78 NPSR1 (0.37) ALDH1A1
SCHEMBL13361711 0.78 HSD11B1 (0.39) HSD11B1GBA1UGCGGBA2
SCHEMBL5001408 0.78 THRB (0.43) ALDH1A1THRBHSD11B1TSHR

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-7718342-B2 Polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20070148594-A1 Polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2007-06-28 US disclosed