SCHEMBL22083052

SCHEMBL22083052

C=C(C)C(=O)Oc1ccc(-c2ccc(OCCCCOC(=C)C(=C)COC)cc2)c(-c2ccc(CCCCCC)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ RARB P10826 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ THRB P10828 2/20 0.37
▸ THRA P10827 1/20 0.37
▸ PLA2G4B P0C869 2/20 0.37

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
SCHEMBL22083057 0.90 RARB (0.39) PTPN11MEN1USP2ALDH1A1LMNA
SCHEMBL22083506 0.87 THRB (0.40) PTPN11MEN1USP2ALDH1A1LMNA
SCHEMBL22083248 0.87 THRB (0.43) PTPN11MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22083501 0.86 THRB (0.45) PTPN11MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22083499 0.86 PTPN11 (0.42) PTPN11LMNACYP3A4SMN1; SMN2RARB
SCHEMBL22083504 0.85 POLB (0.41) PTPN11ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL22083500 0.85 PTPN11 (0.38) PTPN11MEN1ALDH1A1KMT2APOLB
SCHEMBL22083060 0.85 POLB (0.40) PTPN11MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL22083051 0.84 MEN1 (0.43) PTPN11MEN1USP2ALDH1A1LMNA
SCHEMBL22083056 0.83 MEN1 (0.41) PTPN11MEN1USP2ALDH1A1LMNA

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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