SCHEMBL6821734

SCHEMBL6821734

CCOC(=O)CNc1ccc(CNC(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 4/20 0.65
POLB P06746 2/20 0.55
PPIB P23284 1/20 0.55
PPIA P62937 1/20 0.55
PPIG Q13427 1/20 0.55
MAPT P10636 3/20 0.52
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL23310021 0.83 POLB (0.66) PPIDPOLBPPIBPPIAPPIG
SCHEMBL9742443 0.83 POLB (0.61) PPIDPOLBPPIBPPIAPPIG
SCHEMBL7345267 0.81 MAPT (0.65) PPIDPOLBPPIBPPIAPPIG
SCHEMBL10499213 0.81 PPID (0.63) PPIDPOLBMAPTCA12CA1
SCHEMBL28088277 0.80 POLB (0.58) PPIDPOLBPPIBPPIAPPIG
SCHEMBL6821737 0.80 KMT2A (0.59) PPIDPOLBMAPTCA12CA1
SCHEMBL5664478 0.79 KMT2A (0.58) PPIDPOLBMAPTCA12CA1
SCHEMBL4035087 0.79 POLB (0.65) PPIDPOLBMAPTCA12CA1
SCHEMBL7103590 0.79 CYP4F2 (0.64) PPIDPOLBPPIBPPIAPPIG
SCHEMBL1372423 0.78 POLB (0.63) PPIDPOLBMAPTCA12CA1

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-2004050646-A1 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B ASTRAZENECA AB (SE) 2004-06-17 WO disclosed