SCHEMBL14463140

SCHEMBL14463140

CC(=O)OCc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ LMNA P02545 2/20 0.47
▸ CHKA P35790 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ IDH1 O75874 1/20 0.45

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
E1501 SCHEMBL901210 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL28201296 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL14031569 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL43745 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL9800714 0.83 ALDH1A1 (0.88) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL13706517 0.83 KMT2A (0.72) ALDH1A1LMNASMN1; SMN2L3MBTL1SLC6A2
E1501 SCHEMBL30579458 0.82 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL18954294 0.82 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL1256238 0.82 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
E1501 SCHEMBL28928069 0.82 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1

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-7244546-B2 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORPORATION (JP) 2007-07-17 — — US disclosed
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