SCHEMBL3516696

SCHEMBL3516696

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.55
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.45
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
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 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
SCHEMBL9135761 1.00 HCAR2 (0.55) HCAR2TSHRATMCA12AKR1B10
SCHEMBL8641565 0.89 HCAR2 (0.52) HCAR2TSHRATMCA12AKR1B10
SCHEMBL8641575 0.89 HCAR2 (0.52) HCAR2TSHRATMCA12AKR1B10
SCHEMBL3516591 0.84 HCAR2 (0.62) HCAR2TSHRATMCA12AKR1B10
SCHEMBL8416540 0.83 TSHR (0.42) HCAR2TSHRATMMAPTRAB9A
SCHEMBL608166 0.82 TSHR (0.64) HCAR2TSHRATMMAPTRAB9A
SCHEMBL1455147 0.82 TSHR (0.64) HCAR2TSHRATMMAPTRAB9A
SCHEMBL216328 0.82 TSHR (0.64) HCAR2TSHRATMMAPTRAB9A
SCHEMBL7538541 0.82 HCAR2 (0.53) HCAR2TSHRATMCA12AKR1B10
SCHEMBL7536969 0.82 HCAR2 (0.53) HCAR2TSHRATMCA12AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7061908-A None JP disclosed
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
JP-H0761908-A NAIL COSMETIC NIPPON OIL & FATS CO LTD 1995-03-07 JP disclosed