SCHEMBL3742216

SCHEMBL3742216

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
SLC7A5 Q01650 2/20 0.42
DPP4 P27487 2/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
EPHX1 P07099 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
CSK P41240 1/20 0.40
MAOB P27338 1/20 0.40
MME P08473 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL321221 0.85 SLC7A5 (0.61) SLC7A5DPP4
SCHEMBL3995126 0.85 HDAC1 (0.51) ACACBSLC7A5HDAC1HDAC6CSK
SCHEMBL2369810 0.85 HDAC1 (0.51) ACACBSLC7A5HDAC1HDAC6CSK
SCHEMBL4279625 0.85 SLC7A5 (0.61) SLC7A5DPP4
SCHEMBL14884551 0.85 HDAC1 (0.51) ACACBSLC7A5HDAC1HDAC6CSK
Hydrochloric Acid SCHEMBL3972036 0.83 ALDH1A1 (0.52) ACACBSLC7A5HDAC1HDAC6CSK
SCHEMBL8020641 0.83 SLC7A5 (0.59) SLC7A5DPP4
SCHEMBL839784 0.83 MMP8 (0.44) ACACBSLC7A5DPP4FAPDPP8
SCHEMBL4881644 0.83 MMP8 (0.44) ACACBSLC7A5DPP4FAPDPP8
SCHEMBL8020635 0.83 SLC7A5 (0.59) SLC7A5DPP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624052-B1 Process for the production of beta-amino acids with the use of acylase AJINOMOTO KK (JP) 2015-05-27 EP disclosed
US-7833760-B2 Process for the production of β-amino acids using acylase AJINOMOTO CO., INC. (JP) 2010-11-16 US disclosed
US-20090258398-A1 Process for the Production of beta-Amino Acids Using Acylase NAKAMATSU TSUYOSHI 2009-10-15 US disclosed
US-7351571-B2 Process for the production of β-amino acids using acylase AJINOMOTO CO., INC. (JP) 2008-04-01 US disclosed
US-20060035345-A1 Process for the production of beta-amino acids using acylase AJINOMOTO CO., INC. (JP) 2006-02-16 US disclosed
EP-1624052-A1 Process for the production of beta-amino acids with the use of acylase Ajinomoto Co., Inc. (JP) 2006-02-08 EP disclosed