SCHEMBL8727985

SCHEMBL8727985

C=Cc1ccc(CCc2ccc(COCCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRA P10827 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL316823 0.95 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8730302 0.90 L3MBTL1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8730992 0.90 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8732923 0.90 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8731066 0.85 MAOB (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8731062 0.85 MAOB (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8732869 0.85 L3MBTL1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1316435 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18832287 0.83 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1664388 0.83 CA1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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