SCHEMBL3665378

SCHEMBL3665378

CCOC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC(F)(F)F)c2)c(C)c1.Cc1cc(Nc2ccc(C3CC3)cc2C(=O)O)cnc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.89

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
SCHEMBL468562 0.97 DHODH (0.83) DHODH
SCHEMBL468659 0.94 DHODH (1.00) DHODH
SCHEMBL3670180 0.89 DHODH (0.76) DHODH
SCHEMBL3668556 0.89 DHODH (0.84) DHODH
SCHEMBL3664593 0.87 DHODH (0.87) DHODH
SCHEMBL468607 0.86 DHODH (0.79) DHODH
SCHEMBL17254041 0.86 DHODH (0.83) DHODH
SCHEMBL468597 0.85 DHODH (0.70) DHODH
SCHEMBL2825954 0.84 DHODH (0.63) DHODH
SCHEMBL20673161 0.84 DHODH (0.80) 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