SCHEMBL27681122

SCHEMBL27681122

CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc(CF)c(C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.79
PTPRO Q16827 1/20 0.79
STAT3 P40763 4/20 0.44
RARB P10826 3/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
CNR2 P34972 3/20 0.40
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL1734581 0.88 PTPN11 (0.81) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1733827 0.88 PTPN11 (1.00) PTPN11PTPROSTAT3RARBRARA
Hydrochloric Acid SCHEMBL1815540 0.87 PTPN11 (0.98) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1733835 0.87 PTPN11 (0.80) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1734788 0.86 PTPN11 (0.85) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1736199 0.84 PTPN11 (0.75) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1734805 0.84 PTPN11 (0.92) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1735881 0.83 PTPN11 (0.74) PTPN11PTPROSTAT3RARBRARA
SCHEMBL1734802 0.82 PTPN11 (0.89) PTPN11PTPROSTAT3BCL2L1MCL1
SCHEMBL1814311 0.81 PTPN11 (0.70) PTPN11PTPROSTAT3RARBRARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1997638-B 1,1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP1-B inhibitors APPLIED RESEARCH SYSTEMS 2011-07-06 CN disclosed
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 CN disclosed