SCHEMBL3516369

SCHEMBL3516369

CC(C)CCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.53
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.44
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL2475186 0.90 TDP1 (0.56) HCAR2TDP1LMNAATMCA12
SCHEMBL2475190 0.90 TDP1 (0.56) HCAR2TDP1LMNAATMCA12
SCHEMBL2478667 0.90 TDP1 (0.56) HCAR2TDP1LMNAATMCA12
SCHEMBL10498224 0.86 HCAR2 (0.47) HCAR2TDP1LMNAATMCA12
SCHEMBL10498231 0.86 HCAR2 (0.47) HCAR2TDP1LMNAATMCA12
SCHEMBL9135761 0.82 HCAR2 (0.55) HCAR2TDP1LMNAATMCA12
SCHEMBL6453889 0.82 ATM (0.55) HCAR2TDP1LMNAATMCA12
SCHEMBL3482913 0.82 HCAR2 (0.62) HCAR2TDP1LMNAATMCA12
SCHEMBL3482909 0.82 HCAR2 (0.62) HCAR2TDP1LMNAATMCA12
SCHEMBL3516696 0.82 HCAR2 (0.55) HCAR2TDP1LMNAATMCA12

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-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed