SCHEMBL3664567

SCHEMBL3664567

CCOC(=O)c1cc(C)ccc1Nc1cnc(-c2cccc(C(N)=O)c2)c(C)c1.Cc1ccc(Nc2cnc(-c3cccc(C(N)=O)c3)c(C)c2)c(C(=O)O)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.84

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
SCHEMBL468541 0.96 DHODH (0.78) DHODH
SCHEMBL468446 0.92 DHODH (1.00) DHODH
SCHEMBL3667236 0.90 DHODH (0.85) DHODH
SCHEMBL3668796 0.89 DHODH (0.82) DHODH
SCHEMBL468664 0.86 DHODH (0.76) DHODH
SCHEMBL468503 0.86 DHODH (0.78) DHODH
SCHEMBL3664287 0.85 DHODH (0.86) DHODH
SCHEMBL3670180 0.85 DHODH (0.76) DHODH
SCHEMBL468575 0.83 DHODH (1.00) DHODH
SCHEMBL2406359 0.82 DHODH (0.59) 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