SCHEMBL8400336

SCHEMBL8400336

O=C(O)c1ccc(-c2ccc(OCCCCCCCCCCCCOC3(C(=O)O)C=CC(c4ccccc4)=CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.48
PKM P14618 1/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 2/20 0.42
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 2/20 0.40
HRH4 Q9H3N8 2/20 0.40

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
SCHEMBL8082004 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8404120 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8400401 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8402402 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8403743 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8404123 1.00 RARB (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8402337 0.99 RARB (0.46) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8085231 0.97 PKM (0.44) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8400566 0.94 PKM (0.48) RARBPKMHDAC3HDAC4HDAC1
SCHEMBL8085070 0.89 RARB (0.45) RARBPKMTP53TSHRPLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
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