SCHEMBL3517875

SCHEMBL3517875

CCCCC(C)OC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.52
LMNA P02545 2/20 0.43
FAAH O00519 5/20 0.42
ATM Q13315 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CTSK P43235 3/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4583719 0.94 ATM (0.47) HCAR2LMNAFAAHATMCNR1
SCHEMBL11407404 0.94 ATM (0.47) HCAR2LMNAFAAHATMCNR1
SCHEMBL3482319 0.94 ATM (0.47) HCAR2LMNAFAAHATMCNR1
SCHEMBL7949523 0.89 FAAH (0.53) HCAR2LMNAFAAHATMCNR1
SCHEMBL7543926 0.89 HCAR2 (0.55) HCAR2LMNAFAAHATMCNR1
SCHEMBL11407409 0.87 HCAR2 (0.55) HCAR2FAAHATMCNR1CNR2
SCHEMBL3482317 0.87 HCAR2 (0.55) HCAR2FAAHATMCNR1CNR2
SCHEMBL3482324 0.87 HCAR2 (0.55) HCAR2FAAHATMCNR1CNR2
SCHEMBL9149011 0.87 FAAH (0.56) HCAR2LMNAFAAHATMCNR1
SCHEMBL9153648 0.87 FAAH (0.56) HCAR2LMNAFAAHATMCNR1

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