SCHEMBL4397344

SCHEMBL4397344

CCON(C(=O)C1=C(C(=O)O)CCC1)c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.47
NR4A2 P43354 8/20 0.44
NR4A1 P22736 2/20 0.44
JMJD7 P0C870 1/20 0.44
NR4A3 Q92570 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6756240 0.88 DHODH (0.48) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL6859688 0.87 DHODH (0.51) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL6754119 0.83 DHODH (0.46) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL2593220 0.82 AKR1C2 (0.44) DHODH
SCHEMBL3916870 0.77 F2 (0.40) DHODHSLC6A2SLC6A4SLC6A3
SCHEMBL19417210 0.72 DHODH (0.65) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL6814731 0.70 DHODH (0.49) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL6813884 0.69 DHODH (0.46) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118644 0.67 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3914186 0.67 DHODH (0.56) 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