SCHEMBL15071282

SCHEMBL15071282

CN1C(C)(C)CCC(=O)CCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
SRD5A2 P31213 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15071294 0.88 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL5334110 0.75 TSHR (0.32) TSHRNFKB1CYP2C19MEN1KMT2A
SCHEMBL15069948 0.73 MEN1 (0.30) MEN1CYP2C9KMT2A
SCHEMBL18217972 0.73 ALDH1A1 (0.36) MEN1CYP2C9KMT2ATRIM24TRIM33
SCHEMBL15071295 0.73 MEN1 (0.30) MEN1CYP2C9KMT2A
SCHEMBL819484 0.73 TSHR (0.44) TSHRNFKB1CYP2C19
SCHEMBL578932 0.72 GAA (0.35) TSHRNFKB1CYP2C19MEN1KMT2A
SCHEMBL307642 0.71
Hydrochloric Acid SCHEMBL11333509 0.70 GAA (0.34) TSHRNFKB1CYP2C19MEN1KMT2A
Iodide SCHEMBL6292630 0.70 GAA (0.34) TSHRNFKB1CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557927-B2 Comb-shaped graft copolymers and methods of manufacturing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-15 US disclosed
US-20130165592-A1 COMB-SHAPED GRAFT COPOLYMERS AND METHODS OF MANUFACTURING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-06-27 US disclosed