SCHEMBL5740965

SCHEMBL5740965

CCCCc1oc2ccccc2c1CNc1cc(-c2ccccc2)ccc1OCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.51
SIRT3 Q9NTG7 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3869519 0.81 PTPN1 (0.59) PTPN1SIRT3
SCHEMBL3863661 0.81 PTPN1 (0.56) PTPN1SIRT3
SCHEMBL4467637 0.81 PTPN1 (0.60) PTPN1
SCHEMBL3863449 0.80 PTPN1 (0.59) PTPN1
SCHEMBL4462504 0.79 PTPN1 (0.58) PTPN1
SCHEMBL4462374 0.79 PTPN1 (0.57) PTPN1
SCHEMBL13888098 0.79 PTPN1 (0.55) PTPN1SIRT3
SCHEMBL3862170 0.76 PTPN1 (0.56) PTPN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL5227320 0.76 PTPN1 (0.48) PTPN1SIRT3
SCHEMBL5221073 0.76 PTPN1 (0.46) PTPN1SIRT3

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-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed