SCHEMBL5744955

SCHEMBL5744955

CN(CC(=O)O)S(=O)(=O)C1(c2c(Cc3ccccc3)oc3ccccc23)C=CC(c2ccccc2)C=C1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTPN1 P18031 12/20 0.32
KEAP1 Q14145 1/20 0.32
MAPT P10636 1/20 0.30
PTPRF P10586 1/20 0.30
PTPRA P18433 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL5743846 0.77 TAS2R14 (0.36) MTNR1AMTNR1BPTPN1KEAP1
SCHEMBL5744959 0.73 MTNR1A (0.36) MTNR1AMTNR1BPTPN1MAPTPTPRF
SCHEMBL5740580 0.73 PTPN1 (0.36) MTNR1AMTNR1BPTPN1KEAP1
SCHEMBL4267879 0.71 PTPN1 (0.34) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL5742273 0.69 PTPN1 (0.39) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4800192 0.68 PTPN1 (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4806715 0.68 PTPN1 (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4264214 0.67 MTNR1A (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4261637 0.67 PTPN1 (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4260725 0.66 ALDH1A1 (0.39) MTNR1AMTNR1BPTPN1PTPRFPTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
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 claimed
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 claimed