SCHEMBL19637918

SCHEMBL19637918

CCCOC(=O)/C=C/c1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALOX5 P09917 1/20 0.53
▸ AKR1B10 O60218 3/20 0.51
▸ AKR1B1 P15121 3/20 0.51
▸ PKM P14618 1/20 0.49
▸ MET P08581 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ BACE1 P56817 2/20 0.47

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
SCHEMBL8296940 0.92 APP (0.64) APPNPSR1AKR1B10AKR1B1PKM
SCHEMBL8296939 0.92 APP (0.64) APPNPSR1AKR1B10AKR1B1PKM
SCHEMBL31030969 0.88 TTR (0.60) APPNPSR1ALOX5AKR1B10AKR1B1
SCHEMBL1177761 0.88 TTR (0.60) APPNPSR1ALOX5AKR1B10AKR1B1
SCHEMBL1177764 0.88 TTR (0.60) APPNPSR1ALOX5AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL10463632 0.87 TTR (0.58) APPNPSR1ALOX5AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL10463631 0.87 TTR (0.58) APPNPSR1ALOX5AKR1B10AKR1B1
SCHEMBL20358049 0.84 APP (0.63) APPALOX5AKR1B10AKR1B1TTR
SCHEMBL20358047 0.84 APP (0.63) APPALOX5AKR1B10AKR1B1TTR
SCHEMBL19244191 0.82 APP (0.60) APPALOX5PKM

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
WO-2017199264-A1 NOVEL PROCESS FOR THE PREPARATION OF BELINOSTAT BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2017-11-23 — — WO disclosed
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