SCHEMBL8394368

SCHEMBL8394368

CC(=S)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.54
▸ MDM2 Q00987 6/20 0.54
▸ TLR2 O60603 2/20 0.52
▸ SIRT1 Q96EB6 2/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ MDM4 O15151 1/20 0.50
▸ TP53 P04637 1/20 0.50

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
SCHEMBL31437131 0.92 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29401421 0.92 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL31437099 0.92 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL3728827 0.92 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL1738761 0.92 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL260631 0.91 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL178733 0.91 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL178698 0.91 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29359997 0.91 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29528567 0.91 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53

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
US-20080287653-A1 METHOD FOR PRODUCING INHIBITORS AND INHIBITORS FORMED THEREFROM THE UNIVERSITY OF AKRON (US) 2008-11-20 — — US disclosed
US-20080286815-A1 SPECTROPHOTOMETRIC ASSAY FOR HUMAN HISTONE DEACETYLASE 8 THE UNIVERSITY OF AKRON (US) 2008-11-20 — — US disclosed
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