SCHEMBL9003809

SCHEMBL9003809

N[C@@H](CS)C(=O)OC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
MMP2 P08253 1/20 0.54
SLC15A1 P46059 2/20 0.50
CPA3 P15088 1/20 0.50
ANPEP P15144 1/20 0.50
FOLH1 Q04609 1/20 0.50
LTA4H P09960 1/20 0.47
CTRB1 P17538 2/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
SRR Q9GZT4 1/20 0.45

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
SCHEMBL288607 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8835936 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28820471 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29160724 0.90 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8848946 0.87 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5707698 0.85 SLC7A5 (0.57) SLC7A5ANPEPHDAC8
SCHEMBL27566888 0.85 MMP2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21495214 0.85 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2494942 0.85 SLC7A5 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1526409 0.84 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404241-B2 Anti-rhesus D monoclonal antibody LABORATOIRE FRANCAIS DU FRACTIONNEMENT ET DES BIOTECHNOLOGIES (FR) 2013-03-26 US disclosed
US-20110311556-A1 ANTI-RHESUS D MONOCLONAL ANTIBODY LFB-BIOTECHNOLOGIES (FR) 2011-12-22 US disclosed
US-5538876-A HYDROLYSIS OF ESTERS USING ENZYMES GIST-BROCADES, N.V. (NL) 1996-07-23 US disclosed
US-4870160-A PROMOTERS OF HEPARIN BINDING AND CELL ADHESION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 US disclosed