SCHEMBL8867032

SCHEMBL8867032

CC(C)(C)OC(=O)C[C@@H](NC(=O)c1ccn2cc(-c3ccc(C#N)cc3)nc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.38
▸ ALDH1A3 P47895 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ FFAR1 O14842 6/20 0.36
▸ SUV39H2 Q9H5I1 3/20 0.35
▸ CHRM4 P08173 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8866437 1.00 EGLN2 (0.38) EGLN2ALDH1A3XDHFFAR1SUV39H2
SCHEMBL8867140 0.85 EGLN2 (0.42) EGLN2ALDH1A3SUV39H2CHRM4ALDH1A1
SCHEMBL8866536 0.83 SUV39H2 (0.43) EGLN2SUV39H2CHRM4
SCHEMBL8866459 0.81 ALDH1A3 (0.43) EGLN2ALDH1A3FFAR1CHRM4ALDH1A1
SCHEMBL8866186 0.81 ALDH1A3 (0.43) EGLN2ALDH1A3FFAR1CHRM4ALDH1A1
SCHEMBL8867371 0.78 APP (0.40) EGLN2ALDH1A3SUV39H2CHRM4ALDH1A1
SCHEMBL8866254 0.77 APP (0.39) EGLN2ALDH1A3SUV39H2CHRM4ALDH1A1
SCHEMBL8865946 0.76 CETP (0.40) EGLN2SUV39H2CHRM4
SCHEMBL8867524 0.74 ALDH1A1 (0.47) EGLN2ALDH1A3XDHALDH1A1SMN1; SMN2
SCHEMBL8865989 0.74 SUV39H2 (0.41) EGLN2SUV39H2CHRM4

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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