SCHEMBL2731335

SCHEMBL2731335

COc1cccc(-c2cc(F)c([AsH]c3ncc(C4CC4)cc3C(=O)O)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.57
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 2/20 0.40

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
SCHEMBL729535 0.80 DHODH (0.84) DHODH
SCHEMBL1955242 0.76 DHODH (0.78) DHODH
SCHEMBL729551 0.73 DHODH (1.00) DHODH
SCHEMBL729529 0.72 DHODH (1.00) DHODH
SCHEMBL2730244 0.68 DHODH (0.57) DHODHAKR1C3AKR1C2
SCHEMBL15712711 0.67 DHODH (0.60) DHODH
SCHEMBL15712406 0.67 DHODH (0.60) DHODH
SCHEMBL729458 0.65 DHODH (1.00) DHODH
SCHEMBL727460 0.65 DHODH (0.83) DHODH
SCHEMBL3732615 0.65 DHODH (0.74) 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
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO disclosed