SCHEMBL6282167

SCHEMBL6282167

CCCCCNC(=O)[C@H](Cc1ccc(N2CC(=O)N(Cc3ccccc3)S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.62
CHRNA1 P02708 4/20 0.44
CHRNG P07510 4/20 0.44
CHRNB1 P11230 4/20 0.44
CHRND Q07001 4/20 0.44
KLKB1 P03952 1/20 0.43
GRIA1 P42261 1/20 0.43
PLG P00747 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CTSL P07711 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL1732762 0.94 PTPN1 (0.54) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL1732761 0.94 PTPN1 (0.54) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6141344 0.90 PTPN1 (0.48) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL1732436 0.90 PTPN1 (0.53) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL1732438 0.90 PTPN1 (0.53) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6141529 0.87 PTPN1 (0.49) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6141374 0.85 LCK (0.47) PTPN1CTSL
SCHEMBL1731192 0.85 PTPN1 (0.47) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6925818 0.85 PTPN1 (0.47) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL5893060 0.85 PTPN1 (0.70) PTPN1CHRNA1CHRNGCHRNB1CHRND

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
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO disclosed