SCHEMBL27612828

SCHEMBL27612828

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL96869 0.80 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL96868 0.80 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL15880611 0.76 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL9251719 0.75 CYP2C19 (0.38) TSHRNFKB1CYP2C19APLNR
SCHEMBL10707935 0.75 CYP2C19 (0.38) TSHRNFKB1CYP2C19APLNR
SCHEMBL9251711 0.75 CYP2C19 (0.38) TSHRNFKB1CYP2C19APLNR
SCHEMBL12110903 0.74 APLNR (0.58) TSHRNFKB1CYP2C19APLNR
SCHEMBL8849245 0.73 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL6676053 0.73 SMN1; SMN2 (0.38) TSHRNFKB1CYP2C19APLNR
SCHEMBL5588475 0.71 ALDH1A1 (0.38) TSHRNFKB1CYP2C19

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
CN-1615335-A Selective Oxidation of Sodium Sulfide in Kraft Cooking Liquor CLARIANT GMBH (DE) 2005-05-11 CN disclosed