SCHEMBL13847331

SCHEMBL13847331

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
HSD11B1 P28845 3/20 0.35
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
DPP4 P27487 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL11966898 0.92 HSD11B1 (0.38) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL11985998 0.91 MDH1 (0.35) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL11911041 0.89 MDH1 (0.31) MDH1MDH2
SCHEMBL18308571 0.89 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL12304939 0.89 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL132001 0.89 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL13979870 0.88 HSD11B1 (0.36) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL107281 0.88 HSD11B1 (0.36) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL12019765 0.87 HSD11B1 (0.35) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL14556923 0.87 MDH1 (0.33) MDH1MDH2HSD11B1DPP8DPP9

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
WO-2009067354-A1 PHOTORESIST COMPOSITIONS AND PROCESS FOR MULTIPLE EXPOSURES WITH MULTIPLE LAYER PHOTORESIST SYSTEMS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-05-28 WO disclosed