SCHEMBL12284775

SCHEMBL12284775

CC(CCc1ccccc1)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12284530 0.82 CYP19A1 (0.41) TSHROPRK1TRPA1
SCHEMBL12503470 0.81 GRIN1 (0.33) TSHRSMN1; SMN2HTTTRPA1ALDH1A1
SCHEMBL12587156 0.81 TRPA1 (0.41) TRPA1
SCHEMBL13916921 0.81 TRPA1 (0.41) TRPA1
SCHEMBL17022181 0.81 TRPA1 (0.34) TRPA1
SCHEMBL14998076 0.80 FFAR1 (0.33) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL17019835 0.80 TRPA1 (0.31) TRPA1
SCHEMBL9977661 0.80 TRPA1 (0.31) TRPA1
SCHEMBL15886149 0.79 GAA (0.36) SMN1; SMN2OPRK1TRPA1ALDH1A1
SCHEMBL14998074 0.78 FFAR1 (0.33) TSHRSMN1; SMN2MEN1HTTKMT2A

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-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 — — WO disclosed
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