SCHEMBL8746286

SCHEMBL8746286

O=C(O)C1(OCCCCCCCCCCCOC2(C(=O)O)C=CC(c3ccccc3)=CC2)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.33
HDAC4 P56524 9/20 0.33
HDAC1 Q13547 9/20 0.33
HDAC7 Q8WUI4 9/20 0.33
HDAC2 Q92769 9/20 0.33
HDAC10 Q969S8 9/20 0.33
HDAC11 Q96DB2 9/20 0.33
HDAC8 Q9BY41 9/20 0.33
HDAC6 Q9UBN7 9/20 0.33
HDAC9 Q9UKV0 9/20 0.33
HDAC5 Q9UQL6 9/20 0.33
HRH3 Q9Y5N1 5/20 0.32
KCNH2 Q12809 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH1 P35367 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 4/20 0.31
CHRM4 P08173 4/20 0.31
CHRM5 P08912 4/20 0.31
CHRM1 P11229 4/20 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
SCHEMBL27833048 0.95 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9487291 0.95 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9490184 0.95 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9462289 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4182082 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4186206 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11363524 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5828435 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4184937 0.94 CHRM2 (0.39) TDP1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9842607 0.93 CHRM2 (0.38) TDP1CHRM2CHRM4CHRM5CHRM1

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-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed