SCHEMBL15345289

SCHEMBL15345289

CC12CC3CC(C1)CC(C)(C3)C2(C)N.COC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
CYP2C9 P11712 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL15345288 0.85 THRB (0.34) THRBCYP2C9GLAPOLBTSHR
SCHEMBL1229981 0.82 GRIN2D (0.43) THRBPOLBTSHR
Iodide SCHEMBL7068204 0.80 GRIN2D (0.41) THRBPOLBTSHR
Bromide SCHEMBL28339008 0.80 GRIN2D (0.41) THRBPOLBTSHR
Fluoride SCHEMBL28735708 0.80 GRIN2D (0.41) THRBPOLBTSHR
Water SCHEMBL343275 0.80 GRIN2D (0.41) THRBPOLBTSHR
Hydrochloric Acid SCHEMBL28735705 0.80 LMNA (0.46) THRBPOLBTSHR
SCHEMBL28211280 0.79 GLA (0.35) THRBGLATSHRALDH1A1MEN1
Sulfuric Acid SCHEMBL15345274 0.79 GRIN2D (0.33) THRBCYP2C9GLAPOLBTSHR
Ammonia Solution, Strong SCHEMBL28148689 0.76 GLA (0.39) GLATSHRALDH1A1MEN1KMT2A

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
EP-2657190-A1 CHABAZITE TYPE ZEOLITE AND PROCESS FOR PRODUCTION THEREOF, COPPER-CARRYING LOW-SILICA ZEOLITE, NOX REDUCTIVE ELIMINATION CATALYST INCLUDING SAID ZEOLITE, AND METHOD FOR REDUCTIVE ELIMINATION OF NOX EMPLOYING SAID CATALYST Tosoh Corporation (JP) 2013-10-30 EP disclosed