SCHEMBL24045504

SCHEMBL24045504

C=CC(=O)OCCCCCOc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
HDAC1 Q13547 2/20 0.52
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL27174609 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL632262 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893713 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893600 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893771 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893901 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL3735961 0.96 THRB (0.57) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL16893800 0.94 THRB (0.59) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL29902172 0.94 THRB (0.59) THRBTSHRALDH1A1CYP3A4HDAC1
SCHEMBL8044896 0.92 THRB (0.59) THRBTSHRALDH1A1CYP3A4HDAC1

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-1964893-B2 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2021-11-24 EP disclosed