SCHEMBL7337146

SCHEMBL7337146

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.51
▸ BCL2 P10415 1/20 0.46
▸ YAP1 P46937 2/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ MDM2 Q00987 1/20 0.42

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
SCHEMBL7342635 0.91 GPR132 (0.49) PTPN1BCL2YAP1CTSL
SCHEMBL7342642 0.91 GPR132 (0.49) PTPN1BCL2YAP1CTSL
SCHEMBL7342692 0.90 PTPN1 (0.57) PTPN1BCL2YAP1ITGB3ITGA2B
SCHEMBL7342697 0.90 PTPN1 (0.57) PTPN1BCL2YAP1ITGB3ITGA2B
SCHEMBL7339216 0.89 PTPN1 (0.46) PTPN1BCL2MDM4TP53HDAC1
SCHEMBL7339224 0.89 PTPN1 (0.46) PTPN1BCL2MDM4TP53HDAC1
SCHEMBL31097655 0.86 HDAC8 (0.49) PTPN1MDM4TP53
SCHEMBL7338800 0.85 MDM4 (0.48) PTPN1MDM4TP53CTSSCTSK
SCHEMBL1957887 0.85 MDM4 (0.48) PTPN1MDM4TP53CTSSCTSK
SCHEMBL29351891 0.85 MDM4 (0.48) PTPN1MDM4TP53CTSSCTSK

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
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