SCHEMBL22987316

SCHEMBL22987316

CC(C)(C)OC(=O)NCC(=O)N[C@@H](CP)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 1/20 0.41
CTSS P25774 7/20 0.40
CTSK P43235 7/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
CAPN1 P07384 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARD Q03181 2/20 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
SCHEMBL24130649 0.86 MEN1 (0.46) MEN1GAAKMT2AACECTSS
SCHEMBL16765446 0.86 MEN1 (0.46) MEN1GAAKMT2AACECTSS
SCHEMBL16790408 0.86 MEN1 (0.46) MEN1GAAKMT2AACECTSS
SCHEMBL9695489 0.85 FOLH1 (0.47) MEN1GAAKMT2AACECTSS
SCHEMBL23445969 0.85 FOLH1 (0.47) MEN1GAAKMT2AACECTSS
SCHEMBL13884482 0.85 MEN1 (0.45) MEN1GAAKMT2AACECTSS
SCHEMBL29880096 0.85 MAPT (0.46) MEN1GAAKMT2AACECTSS
SCHEMBL7393270 0.85 MEN1 (0.45) MEN1GAAKMT2AACECTSS
SCHEMBL16856542 0.84 CTSK (0.50) MEN1GAAKMT2AACECTSS
SCHEMBL19471830 0.84 CTSK (0.53) MEN1GAAKMT2AACECTSS

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-3778653-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2021-02-17 EP disclosed