SCHEMBL6263333

SCHEMBL6263333

Cc1cccc(C)c1NC(=O)C(Oc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2C)c1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.49
PTPN2 P17706 4/20 0.47

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
SCHEMBL3919471 0.92 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL6275074 0.92 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3906881 0.92 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3911923 0.89 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL6268874 0.88 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6268296 0.88 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL6264982 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3909890 0.88 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL6268624 0.88 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL6263694 0.87 PTPN1 (0.44) PTPN1PTPN2

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed