SCHEMBL22083281

SCHEMBL22083281

C=C(COC)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)COC)cc3-c3ncc(CCCCCC)cn3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.45
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PLA2G4A P47712 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ MTOR P42345 1/20 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
SCHEMBL22082410 0.93 MAPT (0.39) RARBMAPTSMN1; SMN2PLA2G4ACASP3
SCHEMBL22083244 0.88 THRB (0.47) RARBMAPTSMN1; SMN2THRBPTPN11
SCHEMBL22083248 0.86 THRB (0.43) RARBMAPTSMN1; SMN2PLA2G4ATHRB
SCHEMBL22083349 0.85 THRB (0.43) RARBMAPTSMN1; SMN2THRBPTPN11
SCHEMBL22083501 0.83 THRB (0.45) RARBMAPTSMN1; SMN2PLA2G4ATHRB
SCHEMBL22083496 0.82 THRB (0.60) RARBMAPTSMN1; SMN2THRBMEN1
SCHEMBL21422424 0.81 THRB (0.56) RARBMAPTSMN1; SMN2THRBMEN1
SCHEMBL22082218 0.80 THRB (0.40) RARBMAPTSMN1; SMN2THRBPTPN11
SCHEMBL19721838 0.79 RARB (0.51) RARBMAPTSMN1; SMN2THRBPTPN11
SCHEMBL22083499 0.79 PTPN11 (0.42) RARBSMN1; SMN2PLA2G4APTPN11NPC1

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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