SCHEMBL9848480

SCHEMBL9848480

COc1ccc(CC(N)C(=O)N(C(=O)OC(C)(C)C)[C@H]([C]=O)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.40
▸ FAP Q12884 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ ACACB O00763 2/20 0.38
▸ TPH1 P17752 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MMP1 P03956 3/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.34
▸ MMP3 P08254 2/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL28916809 0.88 SLC7A5 (0.42) —
SCHEMBL3777213 0.79 LDHA (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL11123693 0.78 SLC7A5 (0.43) —
SCHEMBL106531 0.74 LDHA (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL7518497 0.74 LDHA (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL7346010 0.74 LDHA (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL17474057 0.73 PSMB8 (0.44) —
SCHEMBL7604639 0.73 SLC15A1 (0.43) —
SCHEMBL7269855 0.73 SLC7A5 (0.41) —
SCHEMBL11381427 0.72 SLC7A5 (0.42) —

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
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 — — EP disclosed
Send feedback