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Sugi Predict / Compounds / SCHEMBL3700948

SCHEMBL3700948

SCHEMBL3700948

CC(C(C(=O)Nc1cccc(CC(C(=O)O)C(C)(C)C)c1Cl)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.34
▸ PTGES O14684 1/20 0.30

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
SCHEMBL3694433 0.93 PTGS2 (0.36) PTGES
SCHEMBL1178773 0.88 PTGES (0.40) MAOBPTGES
SCHEMBL3703548 0.87 MAOB (0.33) MAOB
SCHEMBL3694861 0.87 PTGS2 (0.37) MAOBPTGES
SCHEMBL3698389 0.86 ITGB3 (0.35) MAOB
SCHEMBL1177863 0.86 PTGES (0.33) MAOBPTGES
SCHEMBL1080491 0.84 SMN1; SMN2 (0.37) MAOB
SCHEMBL1079351 0.83 PTGES (0.38) MAOBPTGES
SCHEMBL1080100 0.83 PTGES (0.46) PTGES
SCHEMBL3697908 0.83 PTGES (0.36) PTGES

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 — — EP disclosed