SCHEMBL5227310

SCHEMBL5227310

CCCCc1oc2ccccc2c1Cc1c(-c2ccccc2)ccc(OCCCc2ccccc2)c1OC(=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.48
SIRT3 Q9NTG7 1/20 0.38
KDM4A O75164 3/20 0.38
KDM5A P29375 3/20 0.38
ING2 Q9H160 1/20 0.38
KDM7A Q6ZMT4 2/20 0.38

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
SCHEMBL5227305 0.81 PTPN1 (0.49) PTPN1SIRT3
SCHEMBL5221068 0.80 PTPN1 (0.46) PTPN1SIRT3
SCHEMBL3863449 0.74 PTPN1 (0.59) PTPN1
SCHEMBL13888103 0.71 PTPN1 (0.59) PTPN1
SCHEMBL3869519 0.71 PTPN1 (0.59) PTPN1SIRT3
SCHEMBL3863661 0.71 PTPN1 (0.56) PTPN1SIRT3
SCHEMBL5227320 0.71 PTPN1 (0.48) PTPN1SIRT3
SCHEMBL5740965 0.71 PTPN1 (0.51) PTPN1SIRT3
SCHEMBL5221073 0.71 PTPN1 (0.46) PTPN1SIRT3
SCHEMBL4467637 0.70 PTPN1 (0.60) PTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed