SCHEMBL15345288

SCHEMBL15345288

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL15345289 0.85 THRB (0.38) THRBCYP2C9GLAPOLBTSHR
SCHEMBL1229980 0.83 GRIN2D (0.38) THRBPOLBTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28180581 0.81 LMNA (0.40) THRBPOLBTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28918354 0.81 GRIN2D (0.36) THRBPOLBTSHRSMN1; SMN2
Fluoride SCHEMBL22204318 0.81 GRIN2D (0.36) THRBPOLBTSHRSMN1; SMN2
Iodide SCHEMBL28376240 0.81 GRIN2D (0.36) THRBPOLBTSHRSMN1; SMN2
Bromide SCHEMBL28372345 0.81 GRIN2D (0.36) THRBPOLBTSHRSMN1; SMN2
Water SCHEMBL343274 0.81 GRIN2D (0.36) THRBPOLBTSHRSMN1; SMN2
SCHEMBL28211280 0.81 GLA (0.35) THRBGLATSHRSMN1; SMN2ALDH1A1
Sulfuric Acid SCHEMBL15345273 0.80 PKM (0.31) 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 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