SCHEMBL22444639

SCHEMBL22444639

C=CCOc1cccc(CC(NC)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MME P08473 2/20 0.47
▸ ACE P12821 2/20 0.47
▸ CPA1 P15085 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ GPR132 Q9UNW8 2/20 0.46
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL26896455 0.88 MME (0.51) KDM4ENPC1RAB9AMMEACE
SCHEMBL5869511 0.85 KDM4E (0.47) KDM4ENPC1RAB9AMMEACE
SCHEMBL5870373 0.85 KDM4E (0.47) KDM4ENPC1RAB9AMMEACE
SCHEMBL31688647 0.83 PPARA (0.53) MMEACECPA1ACE2GPR132
SCHEMBL20905557 0.83 ACE (0.56) KDM4ENPC1RAB9AMMEACE
SCHEMBL17542524 0.81 TAAR1 (0.54) MMEACECPA1ACE2ALDH1A1
SCHEMBL29855228 0.81 TAAR1 (0.54) MMEACECPA1ACE2ALDH1A1
SCHEMBL16203413 0.81 TAAR1 (0.54) MMEACECPA1ACE2ALDH1A1
SCHEMBL22444630 0.81 KDM4E (0.52) KDM4ENPC1RAB9ABCHE
SCHEMBL10188901 0.81 KDM4E (0.52) KDM4ENPC1RAB9ABCHE

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-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 — — WO disclosed
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