SCHEMBL8933068

SCHEMBL8933068

N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.54
▸ PTPN2 P17706 6/20 0.40
▸ PTPN6 P29350 5/20 0.40
▸ PTPN11 Q06124 4/20 0.40
▸ PTPRC P08575 3/20 0.40
▸ PTPRB P23467 3/20 0.40
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ PTPN5 P54829 1/20 0.36

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
SCHEMBL18301502 0.90 KMT2A (0.40) PTPN1KMT2A
SCHEMBL2820518 0.80 ACACB (0.40) PTPN1KMT2A
SCHEMBL18986722 0.79 EPHX2 (0.42) KMT2A
SCHEMBL8064068 0.78 DPP4 (0.41) PTPN1KMT2A
SCHEMBL8933064 0.77 MDM2 (0.52) PTPN1
SCHEMBL20815735 0.76 PTPN1 (0.47) PTPN1KMT2A
SCHEMBL599716 0.76 EPHX2 (0.38) KMT2A
SCHEMBL9359183 0.73 ALDH1A1 (0.44) PTPN1KMT2A
SCHEMBL7369838 0.72 KMT2A (0.41) KMT2A
SCHEMBL8035578 0.72 KMT2A (0.41) KMT2A

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-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 — — WO disclosed
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