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Sugi Predict / Compounds / SCHEMBL8866814

SCHEMBL8866814

SCHEMBL8866814

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 11/20 0.49
▸ ACACA Q13085 8/20 0.49
▸ WDR5 P61964 8/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ IRAK1 P51617 1/20 0.43

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
SCHEMBL8867046 0.91 ACACB (0.45) ACACBACACAWDR5IRAK1
SCHEMBL8866714 0.88 ACACB (0.50) ACACBACACAWDR5CYP1A2CYP3A4
SCHEMBL8867021 0.88 ACACB (0.50) ACACBACACAWDR5CYP1A2CYP3A4
SCHEMBL8866827 0.83 WDR5 (0.41) ACACBACACAWDR5
SCHEMBL8866508 0.80 ACACB (0.56) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL8866482 0.80 ACACB (0.47) ACACBACACAIRAK1
SCHEMBL8866088 0.79 ACACB (0.45) ACACBACACA
SCHEMBL8866633 0.78 NR4A2 (0.43) ACACBACACAWDR5
SCHEMBL8866699 0.77 WDR5 (0.48) WDR5
SCHEMBL8866724 0.76 WDR5 (0.42) WDR5

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 2 patents. 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
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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