SCHEMBL13660731

SCHEMBL13660731

CON1C(C)(C)CC(OC(=O)C(C)C)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL13297030 0.82 CYP2D6 (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12786286 0.82 GAA (0.46) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13487849 0.82 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL5573455 0.80 KMT2A (0.55) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL14981846 0.79 TSHR (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9268131 0.79 TSHR (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9268133 0.79 TSHR (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL26822918 0.77 LMNA (0.42) KMT2AALDH1A1CYP2D6LMNAGAA
SCHEMBL9589914 0.77 CA1 (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13554332 0.77 GAA (0.36) TSHRKMT2AALDH1A1ESR1HSD17B10

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-7608659-B2 Conductive material mixed composition ADEKA CORPORATION (JP) 2009-10-27 US disclosed
US-20090072204-A1 CONDUCTIVE MATERIAL MIXED COMPOSITION ADEKA CORPORATION (JP) 2009-03-19 US disclosed