SCHEMBL20082191

SCHEMBL20082191

C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3cc(F)cc(F)c3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
RARB P10826 4/20 0.41
RARA P10276 1/20 0.41
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
LSS P48449 2/20 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
SCHEMBL815645 0.94 THRB (0.47) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL14088550 0.91 THRB (0.48) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL20082220 0.89 TSHR (0.51) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL20082190 0.89 TSHR (0.51) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL20082224 0.89 TSHR (0.51) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL18200224 0.87 HDAC1 (0.47) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL17250029 0.87 HDAC1 (0.47) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL23227543 0.85 THRB (0.42) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL12173355 0.84 THRB (0.49) THRBTSHRALDH1A1CYP3A4RARB
SCHEMBL15834357 0.84 MMP2 (0.45) THRBALDH1A1RARBRARAHPGD

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-3312258-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC Corporation (JP) 2018-04-25 EP disclosed