SCHEMBL27749682

SCHEMBL27749682

NC(=S)S.O=C=NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.42
CPA3 P15088 3/20 0.41
FOLH1 Q04609 2/20 0.41
SRR Q9GZT4 2/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
EPHX1 P07099 1/20 0.41
BACE1 P56817 1/20 0.38
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MME P08473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL2808578 0.89 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3496986 0.89 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4421756 0.89 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27832950 0.88 CYP1A2 (0.50) ALPIPKMPTGS1XIAPSLC7A5
Water SCHEMBL27350729 0.88 CYP1A2 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27935559 0.86 CYP1A2 (0.38) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30011914 0.83 EPHX1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28308507 0.83 EPHX1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27556801 0.78 CYP1A2 (0.41) ALPIPKMPTGS1XIAPSLC7A5
Leucine SCHEMBL27549949 0.78 ANPEP (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535338-A Genetic incorporation of unnatural amino acids into proteins in mammalian cells SCRIPPS RESEARCH INST (US) 2009-09-16 CN disclosed
CN-101535482-A Genetically encoded fluorescent coumarin amino acids SCRIPPS RESEARCH INST (US) 2009-09-16 CN disclosed
CN-101516901-A Genetically programmed expression of selectively sulfated proteins in eubacteria SCRIPPS RESEARCH INST (US) 2009-08-26 CN disclosed
CN-101405401-A Genetic programming expression of protein containing unnatural amino acid phenylselenocysteine SCRIPPS RESEARCH INST (US) 2009-04-08 CN disclosed
CN-101400796-A System for the expression of orthogonal translation components in eubacterial host cells SCRIPPS RESEARCH INST (US) 2009-04-01 CN disclosed
CN-101287830-A Selective post-translational modification of phage display polypeptides SCRIPPS RESEARCH INST (US) 2008-10-15 CN disclosed