SCHEMBL10992170

SCHEMBL10992170

Cc1cccc(C)c1OCCNC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)NCCOc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ SCN2A Q99250 2/20 0.43
▸ SCN8A Q9UQD0 10/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39

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
SCHEMBL10923027 0.75 ALDH1A1 (0.53) L3MBTL1GAAALDH1A1MAPTKDM4E
SCHEMBL1195573 0.74 SCN8A (0.51) L3MBTL1GAASCN2ASCN8AALDH1A1
SCHEMBL21601421 0.73 L3MBTL1 (0.61) L3MBTL1SCN2ASCN8AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1194515 0.73 SCN8A (0.50) L3MBTL1GAASCN2ASCN8AALDH1A1
SCHEMBL15346333 0.71 ALDH1A1 (0.52) L3MBTL1GAASCN2ASCN8AALDH1A1
SCHEMBL21595893 0.71 L3MBTL1 (0.67) L3MBTL1SCN8AALDH1A1MAPTATM
Hydrochloric Acid SCHEMBL1194796 0.70 ALDH1A1 (0.51) L3MBTL1GAASCN2ASCN8AALDH1A1
SCHEMBL1195811 0.70 KDM4E (0.54) SCN2ASCN8AALDH1A1KDM4ECYP2D6
Fumaric Acid SCHEMBL10992174 0.69 SCN8A (0.53) L3MBTL1SCN8AALDH1A1MAPTATM
Maleic Acid SCHEMBL10992168 0.69 SCN8A (0.53) L3MBTL1SCN8AALDH1A1MAPTATM

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-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 — — US disclosed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 — — US disclosed
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