SCHEMBL22083504

SCHEMBL22083504

C=C(C)C(=O)OCCCc1ccc(-c2ccc(OC(=O)C(=C)COC)cc2-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PPARG P37231 7/20 0.39
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACACB O00763 2/20 0.35
▸ SLC5A1 P13866 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ ACACA Q13085 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22083061 0.91 POLB (0.42) POLBAPEX1HTTTDP1PPARG
SCHEMBL22083057 0.88 RARB (0.39) POLBAPEX1HTTTDP1LMNA
SCHEMBL22083062 0.88 PPARG (0.40) POLBAPEX1HTTTDP1PPARG
SCHEMBL22083500 0.88 PTPN11 (0.38) POLBAPEX1HTTTDP1PPARG
SCHEMBL22083060 0.87 POLB (0.40) POLBAPEX1HTTTDP1PPARG
SCHEMBL22083063 0.86 MEN1 (0.41) PPARGLMNAPTPN11SMN1; SMN2ALDH1A1
SCHEMBL22083506 0.86 THRB (0.40) PPARGLMNAPTPN11MAPTSMN1; SMN2
SCHEMBL22083056 0.86 MEN1 (0.41) PPARGLMNAPTPN11SMN1; SMN2ALDH1A1
SCHEMBL22083501 0.85 THRB (0.45) PTPN11MAPTSMN1; SMN2ALDH1A1
SCHEMBL22083053 0.84 PTPN11 (0.43) PPARGLMNAPTPN11SMN1; SMN2ALDH1A1

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
WO-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 — — WO disclosed
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