SCHEMBL11985998

SCHEMBL11985998

CCC(C)(CC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
HSD11B1 P28845 3/20 0.34
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PKM P14618 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
SCHEMBL18308571 0.97 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL132001 0.97 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL12304939 0.97 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL13847331 0.91 MDH1 (0.40) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL11966898 0.91 HSD11B1 (0.38) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL13088075 0.88 HSD11B1 (0.38) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL47540 0.88 HSD11B1 (0.38) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL14253578 0.87 CYP17A1 (0.33) MDH1MDH2CYP17A1CYP19A1
SCHEMBL132070 0.87
SCHEMBL16865927 0.87

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9429846-B2 Pattern forming process and shrink agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-20160223904-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD (JP) 2016-08-04 US disclosed
US-20150086929-A1 PATTERN FORMING PROCESS AND SHRINK AGENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-03-26 US disclosed
US-8652756-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20130056654-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-07 US disclosed
US-8247159-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2012-08-21 US disclosed