SCHEMBL28627451

SCHEMBL28627451

CC(C)(C)N(CCCCNc1cc(-c2n[nH]c(=O)o2)ccc1C(F)(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 19/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.38

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
SCHEMBL23826351 0.84 NOTUM (0.53) NOTUMCYP1A2
SCHEMBL28614069 0.83 NOTUM (0.44) NOTUMCYP1A2PTGS1
SCHEMBL31336425 0.81 NOTUM (0.50) NOTUMCYP1A2PTGS1
SCHEMBL29366780 0.81 NOTUM (0.50) NOTUMCYP1A2PTGS1
SCHEMBL23825794 0.81 NOTUM (0.53) NOTUMCYP1A2
Hydrochloric Acid SCHEMBL23825826 0.80 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825825 0.80 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825570 0.80 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825815 0.80 NOTUM (0.54) NOTUMCYP1A2
SCHEMBL23826601 0.80 NOTUM (0.54) NOTUMCYP1A2

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
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN disclosed
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