SCHEMBL12829913

SCHEMBL12829913

C=C1CC(OC(=O)S)CC(C)(C)N1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL12829912 0.86 KMT2A (0.43) CYP2D6LMNATSHRKMT2AGAA
SCHEMBL13245888 0.82 TSHR (0.35) CYP2D6LMNATSHRKMT2AGAA
SCHEMBL13266121 0.80 NAAA (0.40) KMT2AGAA
SCHEMBL12672366 0.79 CYP2D6 (0.37) CYP2D6LMNATSHRKMT2A
SCHEMBL10068440 0.76 NAAA (0.37) KMT2AGAA
SCHEMBL11978031 0.76 NAAA (0.37) KMT2AGAA
SCHEMBL12360753 0.74 TSHR (0.36) CYP2D6LMNATSHRKMT2AGAA
SCHEMBL13631393 0.74
SCHEMBL10061452 0.73 CYP2D6 (0.33) CYP2D6LMNA
SCHEMBL10451651 0.73 CYP2D6 (0.33) CYP2D6LMNA

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
US-20110076795-A1 MIXTURES OF ORGANOPOLYSILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2011-03-31 US disclosed