SCHEMBL8823922

SCHEMBL8823922

CCOCC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
SIRT2 Q8IXJ6 8/20 0.49
SIRT1 Q96EB6 7/20 0.49
FOLH1 Q04609 1/20 0.48
TLR2 O60603 2/20 0.48
SIRT3 Q9NTG7 4/20 0.48

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
SCHEMBL8823937 0.93 PTPN1 (0.51) KMT2A
SCHEMBL29370715 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL8823890 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL29401850 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL31624479 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL178700 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL178815 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL29401164 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL22804067 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1
SCHEMBL27142958 0.88 FOLH1 (0.62) KMT2AHDAC1HDAC2SIRT2SIRT1

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-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed