SCHEMBL7050449

SCHEMBL7050449

COC(=O)c1c(O)cccc1OCCCCNCCC(C)c1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.76
▸ PTPRA P18433 8/20 0.56
▸ PTPN2 P17706 6/20 0.56
▸ PTPRF P10586 3/20 0.51

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
SCHEMBL6491797 0.86 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6504689 0.85 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6533772 0.81 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6501815 0.74 PTPN1 (0.83) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6499405 0.72 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6500760 0.72 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6504066 0.72 PTPN1 (0.85) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6492839 0.70 PTPN1 (0.74) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6500588 0.68 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL7254530 0.67 PTPN1 (0.78) PTPN1PTPRAPTPN2PTPRF

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-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO claimed
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