SCHEMBL21322012

SCHEMBL21322012

CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(CCOC)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.47
▸ THRB P10828 3/20 0.41
▸ THRA P10827 2/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ITGB3 P05106 3/20 0.39
▸ ITGA2B P08514 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ PKM P14618 1/20 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
SCHEMBL12736454 0.92 F2 (0.50) F2THRBTHRAKMT2AHTT
SCHEMBL10813927 0.91 F2 (0.49) F2THRBTHRAKMT2AHTT
SCHEMBL17809772 0.91 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11412150 0.91 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11405959 0.91 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11412043 0.91 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11403766 0.90 F2 (0.50) F2THRBTHRAKMT2AHTT
SCHEMBL11411889 0.90 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11418409 0.90 F2 (0.50) F2THRBTHRAKMT2AHTT
SCHEMBL11405165 0.90 THRB (0.52) F2THRBTHRAKMT2AHTT

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-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 — — EP disclosed
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