SCHEMBL8732883

SCHEMBL8732883

C=Cc1ccc(C=Cc2ccc(COCC=CCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 1/20 0.31
TK1 P04183 1/20 0.31
TP53 P04637 1/20 0.30
RELA Q04206 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
SCHEMBL8732877 1.00 ALOX5 (0.36) ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL8731104 0.91 ALDH1A1 (0.34) ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL8731107 0.91 ALDH1A1 (0.34) ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL8730701 0.83 SPHK1 (0.33)
SCHEMBL8730709 0.83 SPHK1 (0.33)
SCHEMBL8730694 0.83 SPHK1 (0.33)
SCHEMBL8725496 0.80 LMNA (0.36) ALOX5ALDH1A1PTPN2PTPN1PTPN11
SCHEMBL8732173 0.80 LMNA (0.36) ALOX5ALDH1A1PTPN2PTPN1PTPN11
SCHEMBL8732171 0.80 LMNA (0.36) ALOX5ALDH1A1PTPN2PTPN1PTPN11
SCHEMBL8725504 0.80 LMNA (0.36) ALOX5ALDH1A1PTPN2PTPN1PTPN11

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed