SCHEMBL9960942

SCHEMBL9960942

CN1CCOCC1.O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
FOLH1 Q04609 2/20 0.47
CTSL P07711 1/20 0.47
CTSK P43235 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL677997 0.85 FOLH1 (0.59) FOLH1CTSLCTSK
SCHEMBL2921260 0.85 FOLH1 (0.59) FOLH1CTSLCTSK
SCHEMBL7624700 0.85 FOLH1 (0.59) FOLH1CTSLCTSK
SCHEMBL29400872 0.85 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2ANPSR1
SCHEMBL27273354 0.84 SIRT2 (0.54) SIRT2SIRT1ITGB3ITGA2BCTSL
SCHEMBL6802740 0.84 MEN1 (0.55) FOLH1CTSLMEN1KMT2ANPSR1
SCHEMBL17444427 0.81 ITGB3 (0.58) SIRT2SIRT1ITGB3ITGA2BMEN1
SCHEMBL17444429 0.81 ITGB3 (0.58) SIRT2SIRT1ITGB3ITGA2BMEN1
SCHEMBL3624630 0.81 FOLH1 (0.55) SIRT2SIRT1FOLH1CTSLCTSK
SCHEMBL21232384 0.81 FOLH1 (0.52) SIRT2SIRT1FOLH1CTSLCTSK

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
EP-2655398-A2 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT Onyx Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012087888-A2 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT ONYX PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed