SCHEMBL26168393

SCHEMBL26168393

CC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 8/20 0.83
▸ PTPN5 P54829 2/20 0.83
▸ PTPN1 P18031 2/20 0.83
▸ PTPN7 P35236 1/20 0.83
▸ DUSP3 P51452 1/20 0.83
▸ AKT1 P31749 1/20 0.57
▸ INSR P06213 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ TYR P14679 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ LDHA P00338 1/20 0.44
▸ LDHB P07195 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14444606 0.91 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248127 0.91 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25248130 0.91 PTPN22 (1.00) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168391 0.90 PTPN22 (0.83) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168431 0.88 PTPN22 (0.79) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25208569 0.87 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25266912 0.87 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL26168386 0.85 PTPN22 (0.75) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25212662 0.84 PTPN22 (0.71) PTPN22PTPN5PTPN1PTPN7DUSP3
SCHEMBL25267615 0.84 PTPN22 (0.71) PTPN22PTPN5PTPN1PTPN7DUSP3

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-2023091674-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-25 — — WO disclosed
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