SCHEMBL10560416

SCHEMBL10560416

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SCN7A Q01118 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ F2 P00734 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL10560971 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL10557025 0.89 GAA (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL10967029 0.84 ALDH1A1 (0.45) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10557988 0.80 ALDH1A1 (0.45) MAPTPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL10554437 0.79 SCN7A (0.41) MAPTSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL10881162 0.79 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL8508358 0.77 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL10880485 0.76 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL18580238 0.76 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL10969382 0.74 ALDH1A1 (0.48) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E

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
Send feedback