SCHEMBL6943702

SCHEMBL6943702

O=C(OCc1ccccc1)C(Cc1ccc(CP(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.88
PTPRC P08575 5/20 0.88
PGK1 P00558 2/20 0.60
PGK2 P07205 2/20 0.60
PTPN2 P17706 5/20 0.54
PTPN6 P29350 4/20 0.51
PTPRB P23467 3/20 0.51
PTPN11 Q06124 3/20 0.51
CDC25A P30304 1/20 0.49

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
SCHEMBL6952067 0.94 PTPN1 (1.00) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6951489 0.94 PTPN1 (1.00) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6949886 0.88 PTPN1 (1.00) PTPN1PTPRCPGK1PGK2PTPN2
SCHEMBL6951017 0.88 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6951378 0.88 PTPN1 (0.88) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6944090 0.86 PTPN1 (0.84) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6952150 0.84 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7888258 0.84 PTPN1 (0.81) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6944118 0.84 PTPN1 (0.81) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6950247 0.84 PTPN1 (0.79) PTPN1PTPRCPTPN2PTPN6PTPRB

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
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP claimed