SCHEMBL22083056

SCHEMBL22083056

C=C(CO)C(=O)OCCOc1ccc(-c2ccc(OC(=O)C(=C)COC)cc2-c2ccc(CCCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ THRB P10828 1/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ PLA2G4A P47712 3/20 0.38
▸ RARB P10826 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ MDH1 P40925 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
SCHEMBL22083063 1.00 MEN1 (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083054 0.93 PPARG (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083059 0.91 MEN1 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083051 0.90 MEN1 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083497 0.90 MEN1 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083053 0.90 PTPN11 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083492 0.90 THRB (0.48) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083506 0.89 THRB (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL22083244 0.88 THRB (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2THRB
SCHEMBL22083060 0.87 POLB (0.40) MEN1ALDH1A1CYP3A4KMT2APTPN11

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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