SCHEMBL8866827

SCHEMBL8866827

CC(C)(C)OC(=O)CCNC(=O)c1cccc(-c2cn3c(n2)CCC(C(N)C(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 16/20 0.41
▸ P2RY12 Q9H244 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36

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
SCHEMBL8867053 0.91 NPC1 (0.38) WDR5P2RY12
SCHEMBL8866724 0.88 WDR5 (0.42) WDR5P2RY12
SCHEMBL8867025 0.85 WDR5 (0.44) WDR5USP30
SCHEMBL8866814 0.83 ACACB (0.49) WDR5ACACBACACA
SCHEMBL8866103 0.79 NPC1 (0.39) WDR5P2RY12
SCHEMBL8866516 0.77 WDR5 (0.40) WDR5USP30ACACBACACA
SCHEMBL8866714 0.76 ACACB (0.50) WDR5ACACBACACA
SCHEMBL8866648 0.75 NR4A2 (0.42) WDR5P2RY12
SCHEMBL8867143 0.74 ALDH1A1 (0.41) —
SCHEMBL8867046 0.74 ACACB (0.45) WDR5ACACBACACA

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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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