SCHEMBL6264266

SCHEMBL6264266

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c(C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RORC P51449 4/20 0.34
TACR1 P25103 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACLY P53396 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL6263978 0.92 PTPN1 (0.37) PTPN1RORCALDH1A1
SCHEMBL6261192 0.91 PTPN1 (0.33) PTPN1GAAALDH1A1
SCHEMBL6265724 0.86 NR1D1 (0.35) PTPN1ALDH1A1
SCHEMBL3910215 0.85 PTPN1 (0.45) PTPN1
SCHEMBL6267171 0.85 PTPN1 (0.52) PTPN1PPARGPPARDPPARA
SCHEMBL6265087 0.85 PTPN1 (0.43) PTPN1TACR1
SCHEMBL6263443 0.85 PTPN1 (0.40) PTPN1
SCHEMBL6262829 0.83 PTPN1 (0.41) PTPN1
SCHEMBL6264094 0.83 PTPN1 (0.41) PTPN1
SCHEMBL6262467 0.82 PTPN1 (0.45) PTPN1PPARGPPARDPPARATACR1

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