SCHEMBL22083060

SCHEMBL22083060

C=C(C)C(=O)Oc1ccc(-c2ccc(OCCOC(=O)C(=C)COC)cc2)c(-c2ccc(OCCCC)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTPN11 Q06124 2/20 0.37
▸ ALPL P05186 1/20 0.37
▸ RARB P10826 5/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ RARA P10276 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL22083499 0.91 PTPN11 (0.42) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083506 0.91 THRB (0.40) PTPN11RARBMEN1ALDH1A1MAPT
SCHEMBL22083062 0.89 PPARG (0.40) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083500 0.89 PTPN11 (0.38) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083061 0.89 POLB (0.42) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083057 0.88 RARB (0.39) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083504 0.87 POLB (0.41) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22083056 0.87 MEN1 (0.41) PTPN11RARBMEN1ALDH1A1KMT2A
SCHEMBL22459820 0.86 POLB (0.42) POLBAPEX1HTTTDP1PTPN11
SCHEMBL22459242 0.85 POLB (0.45) POLBAPEX1HTTTDP1RARB

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
Send feedback