SCHEMBL25799185

SCHEMBL25799185

Cc1ccc(C[C@H](N)C(=O)N(C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.42
▸ SLC7A5 Q01650 2/20 0.38
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ NR1D1 P20393 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL24633773 0.89 NR1D1 (0.42) ACACBSLC7A5NR1D1PARP10DPP4
SCHEMBL25798926 0.82 ACACB (0.41) ACACBPPARGPPARANR1D1MEN1
SCHEMBL25799186 0.81 ACACB (0.39) ACACBPPARGPPARANR1D1MEN1
SCHEMBL25798876 0.81 ACACB (0.39) ACACBSLC7A5PPARGPPARANR1D1
SCHEMBL24823145 0.81 ACACB (0.40) ACACBPPARGPPARANR1D1MEN1
SCHEMBL24733484 0.81 ACACB (0.40) ACACBPPARGPPARANR1D1MEN1
Hydrochloric Acid SCHEMBL30428527 0.80 ACACB (0.39) ACACBPPARGPPARANR1D1MEN1
SCHEMBL17978113 0.78 SLC7A5 (0.45) ACACBSLC7A5PPARGPPARADPP4
SCHEMBL17978114 0.78 SLC7A5 (0.45) ACACBSLC7A5PPARGPPARADPP4
SCHEMBL24733657 0.76 ACACB (0.35) ACACBPPARGPPARANR1D1

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-2023127869-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID 中外製薬株式会社 2023-07-06 — — WO disclosed
Send feedback