SCHEMBL19844183

SCHEMBL19844183

C=CC(=O)OCCCCCCOc1ccc(-c2cc(C=N)c(-c3ccc(OCCCCCCOC(=O)C=C)cc3)cc2C=N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTT P42858 3/20 0.42
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC8 Q9BY41 5/20 0.36
▸ HDAC3 O15379 4/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC11 Q96DB2 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 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
SCHEMBL18873100 0.87 THRB (0.41) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL19757188 0.85 HTT (0.40) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL13289971 0.84 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12172633 0.84 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL723159 0.84 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL14907526 0.84 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL19771140 0.83 THRB (0.46) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL19757187 0.82 THRB (0.51) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL12172632 0.82 THRB (0.63) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL19844190 0.82 HTT (0.34) THRBTSHRALDH1A1CYP3A4HTT

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-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 — — US disclosed
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