SCHEMBL7935988

SCHEMBL7935988

COC(=O)[C@@H]1Cc2cc(Oc3cccc(Cl)c3)ccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
HDAC8 Q9BY41 13/20 0.53
CFTR P13569 1/20 0.44

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
SCHEMBL1636444 1.00 PTPN1 (0.58) PTPN1HDAC8CFTR
SCHEMBL1634598 0.90 HDAC8 (0.53) PTPN1HDAC8
SCHEMBL7945553 0.90 HDAC8 (0.53) PTPN1HDAC8
SCHEMBL16196419 0.86 PTPN1 (0.62) PTPN1HDAC8
SCHEMBL16196415 0.86 PTPN1 (0.62) PTPN1HDAC8
SCHEMBL1676394 0.85 PTPN1 (0.58) PTPN1HDAC8
SCHEMBL1201702 0.84 PTPN1 (0.65) PTPN1HDAC8
SCHEMBL8126286 0.84 HDAC8 (0.49) PTPN1HDAC8
SCHEMBL13336925 0.83 PTPN1 (0.55) PTPN1HDAC8CFTR
SCHEMBL4271469 0.83 PTPN1 (0.56) PTPN1HDAC8CFTR

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-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed