SCHEMBL7624249

SCHEMBL7624249

CCCCCCCCCCCCCCCCCCOc1ccc([SH2+])c(Cc2ccccc2)c1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
LTA4H P09960 1/20 0.44
DHFR P00374 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G4B P0C869 1/20 0.42
TSHR P16473 1/20 0.42
PDK2 Q15119 1/20 0.40
PTPN1 P18031 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL4619477 0.85 PTPN11 (0.45) PTPN11LTA4HDHFRL3MBTL1PLA2G4B
SCHEMBL4619945 0.83 PTPN11 (0.44) PTPN11LTA4HDHFRL3MBTL1PLA2G4B
SCHEMBL4619246 0.82 PTPN11 (0.43) PTPN11LTA4HDHFRL3MBTL1PLA2G4B
SCHEMBL18854865 0.75 L3MBTL1 (0.68) LTA4HL3MBTL1PLA2G4BTSHR
SCHEMBL18854866 0.75 L3MBTL1 (0.68) LTA4HL3MBTL1PLA2G4BTSHR
SCHEMBL18995913 0.75 L3MBTL1 (0.68) LTA4HL3MBTL1PLA2G4BTSHR
SCHEMBL28676091 0.75 L3MBTL1 (0.68) LTA4HL3MBTL1PLA2G4BTSHR
SCHEMBL570564 0.73 L3MBTL1 (0.70) LTA4HL3MBTL1
SCHEMBL9804677 0.73 LTA4H (0.49) LTA4HDHFRL3MBTL1
SCHEMBL11292806 0.73 HRH1 (0.51) LTA4HDHFRL3MBTL1TSHR

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-6437090-B1 ORGANOMETALLIC COMPOUND CAPABLE OF REVERSIBLY DISSOLVING AND PRECIPITATING THROUGH HEATING AND COOLING; ORGANOSILICON COMPOUND; ONE LIGAND CONTAINS AN ALKYL GROUP HAVING 10 OR MORE CARBON ATOMS; EPOXY RESIN; STORAGE STABLE; ONLY CURES ON HEAT KABUSHIKI KAISHA TOSHIBA (JP) 2002-08-20 US disclosed