SCHEMBL8364574

SCHEMBL8364574

CCCCOC(=O)/C=C\C(=O)OCCCC.CO[Si](CCC(C)(C)CN)(OC)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
HCAR2 Q8TDS4 4/20 0.48
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
APP P05067 5/20 0.38
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 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
SCHEMBL8364577 1.00 ATM (0.53) ATMHCAR2MAPTRAB9ANPSR1
Diethyl Maleate SCHEMBL8366376 0.86 HCAR2 (0.42) ATMHCAR2MAPTNPSR1ALDH1A1
Diethyl Maleate SCHEMBL8366375 0.86 HCAR2 (0.42) ATMHCAR2MAPTNPSR1ALDH1A1
SCHEMBL4605785 0.82 ATM (0.61) ATMHCAR2MAPTRAB9ANPSR1
Dimethyl Fumarate SCHEMBL8364739 0.82 HCAR2 (0.42) HCAR2
Dimethyl Maleate SCHEMBL8364738 0.82 HCAR2 (0.42) HCAR2
SCHEMBL4605788 0.77 ATM (0.57) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL108806 0.75 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL107869 0.75 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL107870 0.75 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001946-A Curable silane-encapped compositions having improved performances WITCO CORPORATION (US) 1999-12-14 US disclosed