SCHEMBL8236292

SCHEMBL8236292

CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)c2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.47
▸ ANO1 Q5XXA6 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ ACKR3 P25106 1/20 0.43
▸ REN P00797 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3616231 0.91 STS (0.48) STSUSP30ANO1MEN1KMT2A
SCHEMBL13502918 0.91 STS (0.48) STSUSP30ANO1MEN1KMT2A
SCHEMBL3616230 0.91 STS (0.48) STSUSP30ANO1MEN1KMT2A
SCHEMBL3612263 0.85 REN (0.52) STSANO1TP53REN
SCHEMBL3610871 0.85 REN (0.52) STSANO1TP53REN
SCHEMBL13502919 0.84 REN (0.43) STSUSP30ANO1MEN1KMT2A
SCHEMBL3620859 0.84 REN (0.43) STSUSP30ANO1MEN1KMT2A
SCHEMBL3620857 0.84 REN (0.43) STSUSP30ANO1MEN1KMT2A
SCHEMBL13502922 0.83 REN (0.54) REN
SCHEMBL3615881 0.83 FNTA (0.42) STSUSP30ANO1TP53MAPT

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
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 — — WO disclosed
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