SCHEMBL9845134

SCHEMBL9845134

CCCCCCCCOc1ccc(-c2ccc(Br)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.50
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
RARB P10826 5/20 0.45
MAPT P10636 1/20 0.44
PDK2 Q15119 2/20 0.43
PTPN1 P18031 1/20 0.43
NR5A1 Q13285 1/20 0.43
MCL1 Q07820 1/20 0.43
TSHR P16473 1/20 0.42
ALDH2 P05091 1/20 0.42
RARA P10276 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL9060955 0.92 MAPT (0.49) PTPN11S1PR1S1PR3RARBMAPT
SCHEMBL9226935 0.92 MAPT (0.49) PTPN11S1PR1S1PR3RARBMAPT
SCHEMBL9222729 0.92 MAPT (0.49) PTPN11S1PR1S1PR3RARBMAPT
SCHEMBL9247693 0.91 PTPN11 (0.54) PTPN11S1PR1S1PR3RARBPDK2
SCHEMBL9244788 0.91 PTPN11 (0.54) PTPN11S1PR1S1PR3RARBPDK2
SCHEMBL13648644 0.89 PTPN11 (0.52) PTPN11S1PR1S1PR3RARBPDK2
SCHEMBL13648658 0.89 PTPN11 (0.52) PTPN11S1PR1S1PR3RARBPDK2
SCHEMBL10693987 0.87 CYP2D6 (0.45) PTPN11S1PR1S1PR3RARBMAPT
SCHEMBL26331612 0.86 NR5A1 (0.62) PTPN11S1PR1S1PR3RARBMAPT
SCHEMBL17447398 0.86 PTPN11 (0.54) PTPN11RARBPDK2PTPN1TSHR

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
EP-0414230-A2 Liquid crystal composition and liquid crystal device containing the same SHARP KABUSHIKI KAISHA (JP) 1991-02-27 EP disclosed