SCHEMBL6754115

SCHEMBL6754115

CCOc1cc(NC(=O)C2=C(C(=O)O)CCC2)ccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.60
NR4A2 P43354 2/20 0.51
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP1 P09874 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL3924977 0.89 DHODH (0.63) DHODHNR4A2FABP4FABP5MEN1
SCHEMBL6813881 0.82 DHODH (0.65) DHODHNR4A2FABP4FABP5
SCHEMBL6754645 0.80 DHODH (0.65) DHODHNR4A2
SCHEMBL3919682 0.79 DHODH (0.73) DHODHNR4A2
SCHEMBL251960 0.78 DHODH (0.79) DHODHNR4A2
SCHEMBL3916865 0.78 P4HTM (0.59) DHODH
SCHEMBL249278 0.78 DHODH (0.69) DHODHNR4A2FABP4FABP5
SCHEMBL6859682 0.78 DHODH (0.64) DHODHNR4A2
SCHEMBL6814538 0.77 DHODH (0.53) DHODHNR4A2FABP4FABP5
SCHEMBL248162 0.77 DHODH (0.62) 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 2 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-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO disclosed