SCHEMBL6756245

SCHEMBL6756245

O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2OC(F)(F)F)CCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.68
NR4A2 P43354 3/20 0.55
JMJD7 P0C870 1/20 0.55
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
NR1H4 Q96RI1 1/20 0.55

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
SCHEMBL252179 0.85 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503046 0.84 DHODH (0.81) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL6754645 0.82 DHODH (0.65) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3918252 0.81 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL18118644 0.81 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3917145 0.81 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL6813881 0.80 DHODH (0.65) DHODHNR4A2
SCHEMBL3926145 0.79 DHODH (0.82) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL248265 0.79 DHODH (0.76) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3914068 0.77 DHODH (0.63) DHODHNR4A2

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