SCHEMBL6710491

SCHEMBL6710491

CN1C(C)(C)CC(OC(=O)C(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.33
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
SCHEMBL9338828 0.83 TSHR (0.46) TSHRNFKB1CYP2C19
SCHEMBL11465612 0.82 GAA (0.38) CYP2D6LMNAGAA
SCHEMBL31328 0.80 CYP2D6 (0.40) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL11473446 0.80 CYP2D6 (0.40) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL13297030 0.78 CYP2D6 (0.39) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL25142267 0.77 CYP2D6 (0.38) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL9680576 0.77 CYP2D6 (0.38) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL1614689 0.76 CYP2D6 (0.33) CYP2D6LMNAKMT2AGAA
SCHEMBL11542260 0.76 CYP2D6 (0.41) CYP2D6LMNATSHRCYP2C19KMT2A
SCHEMBL9867833 0.76 NR1I2 (0.30) LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593444-B2 Method for producing sizing agent-coated carbon fibers, and sizing agent-coated carbon fibers TORAY INDUSTRIES, INC. (JP) 2017-03-14 US disclosed
US-20130089736-A1 METHOD FOR PRODUCING SIZING AGENT-COATED CARBON FIBERS, AND SIZING AGENT-COATED CARBON FIBERS TORAY INDUSTRIES, INC. (JP) 2013-04-11 US disclosed
US-20040232717-A1 Automobile exterior component made from resin ASAHI KASEI CHEMICALS CORPORATION (JP) 2004-11-25 US disclosed