SCHEMBL14645111

SCHEMBL14645111

CC[C@@H](C)OC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.46
▸ CTSL P07711 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ TLR2 O60603 1/20 0.41

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
SCHEMBL10175069 1.00 PTPN1 (0.46) PTPN1CTSLCTSKMDM4TP53
SCHEMBL12052840 0.89 PTPN1 (0.48) PTPN1CTSLCTSKMDM4TP53
SCHEMBL8100860 0.89 PTPN1 (0.48) PTPN1CTSLCTSKMDM4TP53
SCHEMBL29047065 0.87 PTPN1 (0.48) PTPN1CTSLCTSKMDM4TP53
SCHEMBL29384797 0.87 MDM4 (0.51) PTPN1CTSLCTSKMDM4TP53
SCHEMBL29349956 0.87 MDM4 (0.51) PTPN1CTSLCTSKMDM4TP53
SCHEMBL31714182 0.87 MDM4 (0.51) PTPN1CTSLCTSKMDM4TP53
SCHEMBL29358863 0.87 MDM4 (0.51) PTPN1CTSLCTSKMDM4TP53
SCHEMBL16075059 0.87 PTPN1 (0.49) PTPN1CTSLCTSKMDM4TP53
SCHEMBL117946 0.87 MDM4 (0.51) PTPN1CTSLCTSKMDM4TP53

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
US-8357683-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-01-22 — — US disclosed
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