SCHEMBL17281163

SCHEMBL17281163

CC(C)CCCCCc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP2A6 P11509 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
CYP19A1 P11511 7/20 0.40
FUT7 Q11130 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21652390 0.98 TSHR (0.57) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL26818468 0.93 TSHR (0.54) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL10658699 0.86 TSHR (0.49) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL13617597 0.85 CYP2A6 (0.54) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL16582531 0.84 TSHR (0.71) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL10569117 0.84 TSHR (0.71) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL16582463 0.84 TSHR (0.71) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL10569888 0.82 TSHR (0.68) TSHRHSD17B10CYP2A6LOXL2KCNJ1
SCHEMBL11218361 0.82 FUT7 (0.41) TSHRHSD17B10SLC6A2SLC6A4FUT7
Hydrogen Peroxide SCHEMBL29262757 0.81 GRIN2D (0.49) HSD17B10SLC6A2SLC6A4FUT7ALDH1A1

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-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
US-20150340519-A1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2015-11-26 US disclosed