SCHEMBL6859615

SCHEMBL6859615

N#Cc1cc(-c2ccccc2)ccc1NC(=O)C1=C(C(=O)O)CCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.72
MAOB P27338 1/20 0.54
NR4A2 P43354 4/20 0.53
NR4A1 P22736 2/20 0.53
JMJD7 P0C870 1/20 0.53
NR4A3 Q92570 1/20 0.53
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL18118644 0.81 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3926031 0.81 DHODH (0.58) DHODHMAOBNR4A2NR4A1JMJD7
SCHEMBL4400150 0.79 DHODH (0.73) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3916903 0.79 DHODH (0.74) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3924656 0.78 DHODH (0.65) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3917248 0.78 DHODH (0.72) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL252179 0.78 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3914873 0.77 DHODH (0.70) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3918103 0.77 DHODH (0.61) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3917240 0.76 DHODH (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO disclosed