SCHEMBL7342692

SCHEMBL7342692

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCc2ccc(C#N)cc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.57
▸ P2RX7 Q99572 1/20 0.48
▸ BCL2 P10415 2/20 0.46
▸ YAP1 P46937 2/20 0.45
▸ ABCB1 P08183 2/20 0.43
▸ GPR34 Q9UPC5 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 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
SCHEMBL7342697 1.00 PTPN1 (0.57) PTPN1P2RX7BCL2YAP1ABCB1
SCHEMBL7337146 0.90 PTPN1 (0.51) PTPN1BCL2YAP1ITGB3ITGA2B
SCHEMBL31097655 0.86 HDAC8 (0.49) PTPN1
SCHEMBL7342635 0.86 GPR132 (0.49) PTPN1BCL2YAP1
SCHEMBL7342642 0.86 GPR132 (0.49) PTPN1BCL2YAP1
SCHEMBL7339216 0.85 PTPN1 (0.46) PTPN1BCL2
SCHEMBL7339224 0.85 PTPN1 (0.46) PTPN1BCL2
SCHEMBL7338800 0.85 MDM4 (0.48) PTPN1CTSSCTSK
SCHEMBL1957887 0.85 MDM4 (0.48) PTPN1CTSSCTSK
SCHEMBL29351891 0.85 MDM4 (0.48) PTPN1CTSSCTSK

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
Send feedback