SCHEMBL8730302

SCHEMBL8730302

C=Cc1ccc(CCc2ccc(COCCCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 7/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
THRA P10827 5/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36

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
SCHEMBL8732869 0.95 L3MBTL1 (0.49) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL1316435 0.95 CHRNB2 (0.42) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL678014 0.92 CHRNB2 (0.41) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL8725398 0.90 CHRNB2 (0.40) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL8730821 0.90 CHRNB2 (0.40) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL8727985 0.90 CHRNB2 (0.38) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL1664388 0.90 CA1 (0.40) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL23727557 0.89 CA1 (0.42) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL4303930 0.89 CA1 (0.42) L3MBTL1TDP1THRBCHRNB2CHRNB4
SCHEMBL19971152 0.89 CA1 (0.42) L3MBTL1TDP1THRBCHRNB2CHRNB4

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