SCHEMBL7056007

SCHEMBL7056007

CC(C)(OCc1nn(-c2ccccc2)c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 17/20 0.70
SLC16A1 P53985 14/20 0.49
MCTS1 Q9ULC4 8/20 0.47
TEAD1 P28347 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
TEAD3 Q99594 1/20 0.46
RARG P13631 1/20 0.45
RORC P51449 1/20 0.45
SCN9A Q15858 1/20 0.41

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
Bindarit SCHEMBL187885 0.82 SLC16A3 (1.00) SLC16A3SLC16A1MCTS1
Bindarit SCHEMBL29387325 0.82 SLC16A3 (1.00) SLC16A3SLC16A1MCTS1
Bindarit SCHEMBL371677 0.81 SLC16A3 (0.98) SLC16A3SLC16A1MCTS1
SCHEMBL928767 0.81 SLC16A3 (0.65) SLC16A3SLC16A1RORC
SCHEMBL927777 0.80 SLC16A3 (0.64) SLC16A3SLC16A1MCTS1
SCHEMBL928508 0.79 SLC16A3 (0.87) SLC16A3SLC16A1MCTS1
SCHEMBL928717 0.79 SLC16A3 (0.87) SLC16A3SLC16A1MCTS1
SCHEMBL927983 0.77 SLC16A3 (0.83) SLC16A3SLC16A1MCTS1
SCHEMBL927411 0.76 SLC16A3 (0.80) SLC16A3SLC16A1MCTS1
SCHEMBL2969591 0.75 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1RORCSCN9A

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-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed