SCHEMBL6814731

SCHEMBL6814731

COc1cc(-c2ccccc2)ccc1N(Cl)C(=O)C1=C(C(=O)O)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.49
NR4A2 P43354 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
JMJD7 P0C870 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL3924667 0.77 DHODH (0.55) DHODHNR4A2
SCHEMBL6756240 0.74 DHODH (0.48) DHODHNR4A2SLC6A2SLC6A4SLC6A3
SCHEMBL517774 0.74 DHODH (0.53) DHODHNR4A2SLC6A3JMJD7NR4A1
SCHEMBL252179 0.74 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924083 0.71 DHODH (0.43) DHODHNR4A2SLC6A2SLC6A4SLC6A3
SCHEMBL4397344 0.70 DHODH (0.47) DHODHNR4A2SLC6A2SLC6A4SLC6A3
SCHEMBL517998 0.70 DHODH (0.54) DHODHSLC6A3MEN1KMT2A
SCHEMBL3914186 0.69 DHODH (0.56) DHODHNR4A2SLC6A2SLC6A4SLC6A3
SCHEMBL3926027 0.69 XDH (0.46) DHODH
SCHEMBL3915763 0.69 OXTR (0.46) 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