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Sugi Predict / Compounds / SCHEMBL4389409

SCHEMBL4389409

SCHEMBL4389409

COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(OC)c2)c1.COc1ccccc1-c1ccc(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 20/20 0.81
▸ NR4A2 P43354 7/20 0.81
▸ NR4A1 P22736 2/20 0.81
▸ JMJD7 P0C870 1/20 0.81
▸ NR4A3 Q92570 1/20 0.81
▸ NR1H4 Q96RI1 1/20 0.81

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
SCHEMBL4389419 0.92 DHODH (0.68) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3914908 0.91 DHODH (0.77) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL247888 0.90 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL29352865 0.90 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL28974266 0.89 DHODH (0.98) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL503290 0.89 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3924727 0.87 DHODH (0.84) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3914884 0.85 DHODH (0.78) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL253220 0.85 DHODH (0.77) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL18109121 0.84 DHODH (0.89) DHODHNR4A2NR4A1JMJD7NR4A3

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-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 — — EP disclosed