SCHEMBL3516591

SCHEMBL3516591

CCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.62
ATM Q13315 1/20 0.55
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.41
ALOX5 P09917 1/20 0.41
CA12 O43570 1/20 0.40
AKR1B10 O60218 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9245516 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL7571698 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL22067782 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL15751610 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL5654908 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL3518733 0.89 ATM (0.74) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL3513704 0.85 HCAR2 (0.67) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL3515210 0.85 HCAR2 (0.67) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL7536955 0.85 HCAR2 (0.67) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL10498427 0.85 HCAR2 (0.67) HCAR2ATMMAPTRAB9ANPSR1

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