SCHEMBL6814715

SCHEMBL6814715

COc1c(-c2ccccc2)cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.66
NR4A2 P43354 6/20 0.59
JMJD7 P0C870 1/20 0.53
NR4A1 P22736 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
SCHEMBL6859682 0.91 DHODH (0.64) DHODHNR4A2
SCHEMBL6756236 0.82 DHODH (0.58) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL6754127 0.81 DHODH (0.59) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL501743 0.79 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL31125355 0.77 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL7041288 0.76 DHODH (0.60) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL254108 0.76 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503380 0.75 DHODH (1.00) DHODHNR4A2
SCHEMBL251960 0.74 DHODH (0.79) DHODHNR4A2
SCHEMBL3919599 0.74 DHODH (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO disclosed