SCHEMBL7345636

SCHEMBL7345636

CC(C)(C)OC(=O)Nc1cccc(COc2ccc(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ MDM2 Q00987 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ YAP1 P46937 2/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL7345627 1.00 PTPN1 (0.49) PTPN1EPHX2MDM2SIRT2HDAC8
SCHEMBL2367217 0.85 MDM2 (0.56) PTPN1EPHX2MDM2
SCHEMBL7342692 0.84 PTPN1 (0.57) PTPN1YAP1BCL2
SCHEMBL7342697 0.84 PTPN1 (0.57) PTPN1YAP1BCL2
SCHEMBL7337146 0.84 PTPN1 (0.51) PTPN1MDM2YAP1BCL2
SCHEMBL7342635 0.84 GPR132 (0.49) PTPN1YAP1BCL2MAPTTDP1
SCHEMBL7342642 0.84 GPR132 (0.49) PTPN1YAP1BCL2MAPTTDP1
SCHEMBL28741502 0.83 MDM4 (0.52) MDM2MAPTTDP1
SCHEMBL28741504 0.83 MDM4 (0.52) MDM2MAPTTDP1
SCHEMBL31097655 0.82 HDAC8 (0.49) PTPN1HDAC8

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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