SCHEMBL8867134

SCHEMBL8867134

CC(C)(C)OC(=O)CCNC(=O)c1cccc(-c2cn3ccc(CNC(=O)OC(C)(C)C)cc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 9/20 0.45
▸ NAMPT P43490 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ WDR5 P61964 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ EPHB4 P54760 1/20 0.39

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
SCHEMBL8866298 0.91 SUV39H2 (0.52) SUV39H2NAMPTALDH1A1CHRM4
SCHEMBL8866633 0.89 NR4A2 (0.43) SUV39H2NAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8866417 0.87 ALDH1A1 (0.46) SUV39H2NAMPTALDH1A1HPGDMAPK1
SCHEMBL8867143 0.82 ALDH1A1 (0.41) SUV39H2ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL8867006 0.79 KDM4E (0.42) SUV39H2ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL8867482 0.79 SUV39H2 (0.47) SUV39H2ALDH1A1HPGD
SCHEMBL8866643 0.79 SUV39H2 (0.47) SUV39H2NAMPTALDH1A1HPGD
SCHEMBL8867188 0.79 SUV39H2 (0.44) SUV39H2NAMPTALDH1A1SMN1; SMN2
SCHEMBL9229599 0.78 SUV39H2 (0.45) SUV39H2ALDH1A1HPGDCHRM4
SCHEMBL8866536 0.77 SUV39H2 (0.43) SUV39H2CHRM4

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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