SCHEMBL2595923

SCHEMBL2595923

CCCCOc1cccc(-c2cc(F)cc(F)c2NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.52
NR4A2 P43354 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
PTPN11 Q06124 3/20 0.48
MCL1 Q07820 1/20 0.48
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.43
POLB P06746 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42

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
SCHEMBL1335438 0.88 DHODH (0.66) DHODHNR4A2NR1H4AKR1C2AKR1C1
SCHEMBL29709148 0.84 DHODH (0.58) DHODHNR4A2NR1H4AKR1C2AKR1C1
SCHEMBL12129672 0.84 DHODH (0.58) DHODHNR4A2NR1H4AKR1C2AKR1C1
SCHEMBL1337732 0.83 NR1H4 (0.56) DHODHNR4A2NR1H4PTPN11MCL1
SCHEMBL1335633 0.83 DHODH (0.55) DHODHNR4A2NR1H4PTPN11AKR1C2
SCHEMBL1337021 0.83 DHODH (0.67) DHODHNR4A2GAAL3MBTL1
SCHEMBL2595448 0.82 POLB (0.48) DHODHGAAL3MBTL1POLB
SCHEMBL1337784 0.81 NR1H4 (0.55) DHODHNR4A2NR1H4PTPN11MCL1
SCHEMBL1337478 0.81 DHODH (0.71) DHODHNR4A2NR1H4AKR1C2AKR1C1
SCHEMBL1336938 0.79 DHODH (0.59) DHODHNR4A2NR1H4GAAL3MBTL1

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-2566847-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS Icozen Therapeutics Pvt. Ltd. (IN) 2013-03-13 EP disclosed
WO-2011138665-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-10 WO disclosed