SCHEMBL13743512

SCHEMBL13743512

C=C(Nc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(OC)c2)cc1OC)C1=C(C(=O)O)CCC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.72
NR4A2 P43354 4/20 0.56
JMJD7 P0C870 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3926145 0.93 DHODH (0.82) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252179 0.88 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503290 0.84 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924727 0.84 DHODH (0.84) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL19417217 0.82 DHODH (0.70) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502990 0.82 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924601 0.81 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502883 0.80 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253220 0.80 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502900 0.80 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3

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-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed