SCHEMBL31603801

SCHEMBL31603801

CCOC(=O)c1[nH]ccc1NCc1cccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ RPS6KA1 Q15418 1/20 0.30

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
SCHEMBL31603790 0.92 RPS6KA1 (0.36) ALOX15EPHX2KDM4EMAPTNPSR1
SCHEMBL31603759 0.86 TSHR (0.35) ALOX15KDM4EMAPTNPSR1MEN1
SCHEMBL31603776 0.81 MAPT (0.32) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL31603758 0.79 RPS6KA1 (0.36) EPHX2KDM4EMAPTNPSR1RPS6KA1
SCHEMBL31603786 0.78 BDKRB2 (0.32) KDM4EMAPT
SCHEMBL31603788 0.73 EPHX2 (0.39) EPHX2KDM4EMAPTMEN1KMT2A
SCHEMBL30028198 0.73 TSHR (0.43) ALOX15KDM4EMAPTNPSR1MEN1
SCHEMBL28896259 0.73 TSHR (0.43) ALOX15KDM4EMAPTNPSR1MEN1
SCHEMBL27413370 0.69 L3MBTL1 (0.43) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL1536744 0.69 MAPT (0.53) ALOX15KDM4EMAPTNPSR1MEN1

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-2025107036-A1 DUAL INHIBITORS OF AMINE OXIDASES AND PEROXIDASES, AND USES THEREOF SYNTARA LIMITED (AU) 2025-05-30 — — WO disclosed
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