SCHEMBL7271889

SCHEMBL7271889

O=C1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OCc2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ S1PR4 O95977 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MBTPS1 Q14703 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL5358594 0.80 POLB (0.53) MAPTPOLBMAPK1TDP1
SCHEMBL7153638 0.80 POLB (0.53) MAPTPOLBMAPK1TDP1
SCHEMBL14423615 0.80 POLB (0.53) MAPTPOLBMAPK1TDP1
SCHEMBL3338015 0.79 MAPT (0.49) MAPTS1PR1TYRS1PR4POLB
SCHEMBL11441625 0.79 NMBR (0.48) MAPT
Hydrochloric Acid SCHEMBL3336871 0.78 MAPT (0.48) MAPTS1PR1TYRS1PR4POLB
SCHEMBL27786110 0.78 MAPT (0.47) MAPTS1PR1TYRS1PR4POLB
SCHEMBL29401219 0.77 ALDH1A1 (0.54) MAPTTYRNOS1ALDH1A1MEN1
SCHEMBL24795018 0.77 ITGB3 (0.53) IDO1
SCHEMBL254638 0.77 ITGB3 (0.53) IDO1

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
EP-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
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