SCHEMBL8866022

SCHEMBL8866022

CC(C)(C)OC(=O)NCc1ccn2cc(-c3ccc(C(=O)C4CNCCC4C(=O)OC(C)(C)C)cc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 19/20 0.40
▸ 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
SCHEMBL8867482 0.81 SUV39H2 (0.47) SUV39H2
SCHEMBL8866643 0.81 SUV39H2 (0.47) SUV39H2ACACBACACA
SCHEMBL8867348 0.80 SUV39H2 (0.43) SUV39H2
SCHEMBL9229598 0.76 SUV39H2 (0.42) SUV39H2
SCHEMBL8866298 0.76 SUV39H2 (0.52) SUV39H2
SCHEMBL8866417 0.74 ALDH1A1 (0.46) SUV39H2
SCHEMBL9284320 0.73 SUV39H2 (0.38) SUV39H2
SCHEMBL26526468 0.71 PARP1 (0.46) SUV39H2
SCHEMBL3440268 0.69 NPC1 (0.54) —
SCHEMBL8867134 0.69 SUV39H2 (0.45) SUV39H2

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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