SCHEMBL16381990

SCHEMBL16381990

CC(O)(O)CCc1ccc(OCc2ccc(Cn3cc(CCc4ccccc4)c(-c4ccc(F)cc4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MMP13 P45452 1/20 0.38
CYP19A1 P11511 1/20 0.37
ABCB1 P08183 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PTGS2 P35354 1/20 0.36
CHRM4 P08173 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2822604 0.85 FFAR1 (0.56) HDAC1HDAC7FFAR1FFAR4
SCHEMBL5381994 0.83 KMT2A (0.44) HRH3HDAC1HDAC7FFAR1FFAR4
SCHEMBL5381126 0.80 PTGDR2 (0.48) HRH3HDAC1HDAC7FFAR1FFAR4
SCHEMBL7549149 0.79 GPR34 (0.43) HRH3HDAC1HDAC7KMT2AMEN1
SCHEMBL5380946 0.78 CYP19A1 (0.44) KMT2AMEN1ALDH1A1CYP19A1
SCHEMBL5372077 0.75 CYP19A1 (0.48) HRH3HDAC1HDAC7KMT2AMEN1
SCHEMBL5377099 0.75 FFAR1 (0.56) HDAC1HDAC7FFAR1FFAR4ALDH1A1
SCHEMBL7564649 0.75 MAOB (0.45) HRH3HDAC1FFAR4KMT2AMEN1
SCHEMBL5372015 0.74 KMT2A (0.65) KMT2AMEN1ALDH1A1CYP19A1PTGS2
SCHEMBL5384888 0.74 HDAC1 (0.55) HRH3HDAC1HDAC7FFAR1FFAR4

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-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed