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SCHEMBL4755290

SCHEMBL4755290

CC(O)CNc1nc(Oc2ccc(F)cc2F)nc2c1c(-c1ccccc1Cl)nn2CO.C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc2c1c(-c1ccccc1Cl)nn2COC(=O)CCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 3/20 0.36
▸ FABP7 O15540 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ CTSA P10619 8/20 0.33
▸ DGAT2 Q96PD7 3/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL4480138 0.97 FABP3 (0.37) FABP3FABP7FABP5CTSADGAT2
SCHEMBL4479724 0.97 FABP3 (0.37) FABP3FABP7FABP5CTSADGAT2
SCHEMBL13672547 0.91 PDE10A (0.34) CTSADGAT2MAPK14
SCHEMBL4480988 0.91 PDE10A (0.34) CTSADGAT2MAPK14
SCHEMBL4475490 0.87 MAPK14 (0.38) FABP3FABP7FABP5CTSADGAT2
SCHEMBL4475438 0.85 MAPK14 (0.41) FABP3FABP7FABP5CTSADGAT2
SCHEMBL13672548 0.84 DGAT2 (0.33) FABP3FABP7FABP5CTSADGAT2
SCHEMBL4474346 0.84 DGAT2 (0.33) FABP3FABP7FABP5CTSADGAT2
SCHEMBL13672572 0.82 DGAT1 (0.34) FABP3FABP7FABP5DGAT2MAPK14
SCHEMBL4491581 0.80 MAPK14 (0.41) CTSADGAT2MAPK14

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-1919914-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP disclosed
WO-2007023115-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed