SCHEMBL8728233

SCHEMBL8728233

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccccc3CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.45
THRA P10827 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39

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
SCHEMBL8725719 0.93 PPARD (0.48) THRBMAPTL3MBTL1HPGDTHRA
SCHEMBL8729402 0.86 THRB (0.46) THRBMAPTL3MBTL1HPGDATM
SCHEMBL8075449 0.85 MAPT (0.43) THRBMAPTL3MBTL1HPGDTSHR
SCHEMBL8727988 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8728340 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8728094 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8727990 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8724440 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8728244 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E
SCHEMBL8725675 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4KDM4E

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
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed