SCHEMBL5591617

SCHEMBL5591617

Cc1cc(C(=O)O)cc(Cl)c1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ IDO1 P14902 3/20 0.43
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP3A43 Q9HB55 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDK2 Q15119 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
SCHEMBL5591652 0.93 PLAU (0.54) PLAUPOLBCA12CA1CA2
SCHEMBL8235454 0.91 CA12 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL5591687 0.89 CA12 (0.42) POLBCA12CA1CA2CA9
SCHEMBL8235554 0.86 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL29713682 0.81 CA12 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL5610352 0.81 IDO1 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL5610336 0.80 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL8235456 0.80 PLAU (0.47) PLAUCA12CA1CA2CA9
SCHEMBL28624037 0.80 SMN1; SMN2 (0.47) POLBCA12CA1CA2CA9
SCHEMBL21601402 0.79 L3MBTL1 (0.52) POLBCA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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