SCHEMBL20836735

SCHEMBL20836735

C/C=C(\c1cc(OC)cc(OC)c1)c1cc(OC(C)=O)cc(OC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.54
▸ PDE4B Q07343 8/20 0.54
▸ PDE4C Q08493 8/20 0.54
▸ PDE4D Q08499 8/20 0.54
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BACE1 P56817 3/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL16290846 1.00 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL919577 0.84 ALDH1A1 (0.55) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16954598 0.83 KMT2A (0.48) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL13725392 0.81 RXRA (0.53) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16533898 0.80 CA1 (0.50) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16957995 0.79 MEN1 (0.43) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL16191959 0.78 NQO2 (0.61) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16191961 0.78 NQO2 (0.61) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16955368 0.77 KMT2A (0.43) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL6194628 0.77 CYP3A4 (0.55) MEN1KMT2ATP53SMN1; SMN2KDM4E

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
EP-2796442-B1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INST MED BIOTECHNOLOGY CAMS (CN) 2019-03-27 — — EP claimed
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