SCHEMBL3661258

SCHEMBL3661258

CCOC(=O)c1cc(C)ccc1Nc1cnc(-c2cccc(OC)c2)c(C2CC2)c1.COc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C2CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.67

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
SCHEMBL468643 0.97 DHODH (0.61) DHODH
SCHEMBL468456 0.93 DHODH (0.76) DHODH
SCHEMBL3670557 0.87 DHODH (0.71) DHODH
SCHEMBL3666606 0.85 DHODH (0.87) DHODH
SCHEMBL468468 0.84 DHODH (0.67) DHODH
SCHEMBL3664593 0.82 DHODH (0.87) DHODH
SCHEMBL15789804 0.82 DHODH (0.54) DHODH
SCHEMBL468584 0.81 DHODH (0.81) DHODH
SCHEMBL468713 0.81 DHODH (1.00) DHODH
SCHEMBL3664287 0.80 DHODH (0.86) DHODH

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-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP claimed