SCHEMBL874924

SCHEMBL874924

N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.38
SLC7A5 Q01650 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
IDO1 P14902 2/20 0.36
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
GRIA2 P42262 3/20 0.32
GRIA1 P42261 2/20 0.32
GRIA3 P42263 2/20 0.32
GRIA4 P48058 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MPO P05164 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31

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
Glycine SCHEMBL3967554 0.95 SLC1A5 (0.35) SLC1A5SLC7A5CYP3A4CYP1A2IDO1
Aspartic Acid SCHEMBL7582142 0.94 SLC1A5 (0.34) SLC1A5SLC7A5CYP3A4CYP1A2IDO1
Glutamic Acid SCHEMBL4229342 0.91 CYP1A2 (0.43) SLC1A5SLC7A5CYP3A4CYP1A2IDO1
Histidine SCHEMBL27926628 0.91 SLC7A5 (0.36) SLC1A5SLC7A5CYP3A4CYP1A2IDO1
Histidine SCHEMBL7521146 0.89 SLC7A5 (0.37) SLC1A5SLC7A5CYP3A4CYP1A2IDO1
Lysine SCHEMBL18297985 0.89 GSR (0.46) SLC1A5ARG1
SCHEMBL26762635 0.87 MAP3K7 (0.30)
Histidine SCHEMBL163442 0.86 SLC7A5 (0.47) SLC7A5CYP3A4CYP1A2ALPIPKM
Histidine SCHEMBL163443 0.86 SLC7A5 (0.47) SLC7A5CYP3A4CYP1A2ALPIPKM
Histidine SCHEMBL18824897 0.86 SLC7A5 (0.47) SLC7A5CYP3A4CYP1A2ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112868666-A Double-emission graphene quantum dot/titanium dioxide composite material and preparation method and application thereof 江南大学 2021-06-01 CN disclosed
US-9321847-B2 Activatable toxin complexes comprising a cleavable inhibitory peptide RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2016-04-26 US disclosed
US-20130202598-A1 ACTIVATABLE TOXIN COMPLEXES COMPRISING A CLEAVABLE INHIBITORY PEPTIDE RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-08-08 US disclosed
WO-2012038950-A1 ACTIVATABLE TOXIN COMPLEXES COMPRISING A CLEAVABLE INHIBITORY PEPTIDE RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-03-29 WO disclosed
WO-2002006455-A2 REGULATION OF HUMAN AIRWAY TRYPSIN PROTEASE-LIKE ENZYME BAYER AKTIENGESELLSCHAFT (DE) 2002-01-24 WO disclosed
EP-1025241-A2 MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INTERNATIONAL INC. (US) 2000-08-09 EP disclosed
WO-1999020770-A2 MULTIPLY-SUBSTITUTED PROTEASE VARIANTS GENENCOR INTERNATIONAL, INC. (US) 1999-04-29 WO disclosed