SCHEMBL3664593

SCHEMBL3664593

CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC)c2)c(C(F)(F)F)c1.COc1cccc(-c2ncc(Nc3ccc(C4CC4)cc3C(=O)O)cc2C(F)(F)F)c1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.87

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
SCHEMBL468665 0.97 DHODH (0.81) DHODH
SCHEMBL468419 0.93 DHODH (1.00) DHODH
SCHEMBL3666606 0.89 DHODH (0.87) DHODH
SCHEMBL468773 0.89 DHODH (0.77) DHODH
SCHEMBL3665378 0.87 DHODH (0.89) DHODH
SCHEMBL468584 0.86 DHODH (0.81) DHODH
SCHEMBL468562 0.83 DHODH (0.83) DHODH
SCHEMBL468508 0.82 DHODH (1.00) DHODH
SCHEMBL3661258 0.82 DHODH (0.67) DHODH
SCHEMBL468573 0.82 DHODH (1.00) 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