SCHEMBL8866516

SCHEMBL8866516

CC(C)(C)OC(=O)C(N)C1CCc2nc(-c3ccc(C(=O)O)cc3)cn2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 11/20 0.40
▸ CHEK1 O14757 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL8867025 0.90 WDR5 (0.44) WDR5USP30DPP4DPP7
SCHEMBL8866091 0.85 WDR5 (0.40) WDR5CHEK1ACACBACACANPC1
SCHEMBL8867053 0.84 NPC1 (0.38) WDR5NPC1GPR119
SCHEMBL8866628 0.78 GNA11 (0.37) WDR5CHEK1ACACBACACAHTT
SCHEMBL8866827 0.77 WDR5 (0.41) WDR5ACACBACACAUSP30
SCHEMBL8866508 0.76 ACACB (0.56) ACACBACACA
SCHEMBL8866821 0.76 WDR5 (0.45) WDR5USP30DPP4DPP7
SCHEMBL8866103 0.71 NPC1 (0.39) WDR5NPC1GPR119
Trifluoroacetic Acid SCHEMBL8866264 0.70 F11 (0.39) WDR5CHEK1NPC1LMNARAB9A
SCHEMBL8867571 0.69 ALDH1A1 (0.49) NPC1LMNARAB9AGAAKMT2A

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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