SCHEMBL6946050

SCHEMBL6946050

CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(CC(COCc2ccccc2)(COCc2ccccc2)Cc2ccc(C(F)(F)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.52
PTPRC P08575 4/20 0.43
PTPN2 P17706 4/20 0.39
PTPN6 P29350 4/20 0.39
PTPRB P23467 4/20 0.36
PTPN11 Q06124 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARA Q07869 1/20 0.35
GRB2 P62993 1/20 0.34
CDC25A P30304 1/20 0.34

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
SCHEMBL7884519 0.89 PTPN1 (0.46) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6951422 0.88 PTPN1 (0.48) PTPN1PTPRCPTPN2PTPN6ALDH1A1
SCHEMBL6946520 0.86 PTPN1 (0.69) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7886902 0.84 PTPN1 (0.43) PTPN1PTPRCPTPN2PTPN6ALDH1A1
SCHEMBL7879135 0.79 PTPN1 (0.43) PTPN1PTPRCALDH1A1
SCHEMBL6944073 0.78 PTPN1 (0.67) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL6948682 0.78 PTPN1 (0.63) PTPN1PTPRCPTPN2GRB2
SCHEMBL6941175 0.77 PTPN1 (0.59) PTPN1PTPRCPTPN2PTPN6PTPRB
SCHEMBL7888188 0.76 PTPN1 (0.40) PTPN1PTPRCPTPRBALDH1A1
SCHEMBL6941229 0.76 PTPN1 (0.41) 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 disclosed