SCHEMBL10560971

SCHEMBL10560971

CCOC(=O)CNC(=O)COc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SCN9A Q15858 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ P2RY14 Q15391 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCN7A Q01118 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ MCHR1 Q99705 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
SCHEMBL10560416 0.89 MAPT (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL10557025 0.87 GAA (0.53) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL10557988 0.79 ALDH1A1 (0.45) SMN1; SMN2NPC1ALDH1A1L3MBTL1GAA
SCHEMBL10554437 0.78 SCN7A (0.41) SMN1; SMN2NPC1RAB9AALDH1A1P2RY14
SCHEMBL9206754 0.76 SCN7A (0.40) SCN9ASCN10ASCN7AKCNH2
SCHEMBL10882340 0.75 MAPT (0.50) SMN1; SMN2NPC1RAB9ASCN9AALDH1A1
SCHEMBL18580238 0.74 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL11271682 0.74 HTT (0.47) NPC1RAB9ASCN9AALDH1A1KDM4E
SCHEMBL10967029 0.73 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL11304859 0.72 LMNA (0.52) SMN1; SMN2SCN9AALDH1A1

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-4812163-A Phenoxyacetic acids and herbicides comprising them as active ingredients TEIJIN, LIMITED (JP) 1989-03-14 — — US disclosed
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