SCHEMBL7665158

SCHEMBL7665158

CC(C)CCOc1ccc(-c2ccc(CSCc3cccc(CP(=O)(OF)OF)c3)cc2)cc1P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN1 P18031 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PTK2B Q14289 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL7189808 0.94 KDM4E (0.37) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7597546 0.87 PTPN1 (0.36) KDM4EPTPN1
SCHEMBL7665155 0.84 PTPN5 (0.44) PTPN1
SCHEMBL7189804 0.80 PTPN5 (0.43) PTPN1
SCHEMBL7597545 0.78 PTPN1 (0.55) KDM4EPTPN1
SCHEMBL7189802 0.74 KDM4E (0.39) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7591806 0.72 GGPS1 (0.38) KDM4ESMN1; SMN2PTPN1POLB
SCHEMBL7558349 0.71 PTPN1 (0.53) PTPN1
SCHEMBL7190925 0.67 PTPN1 (0.35) MEN1KMT2ASMN1; SMN2PTPN1NPC1
SCHEMBL7186784 0.67 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2PTPN1ESR1

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
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US claimed
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