SCHEMBL5680233

SCHEMBL5680233

N[C@@H](Cc1ccccc1)C(=O)Oc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
SLC15A1 P46059 2/20 0.45
CTSC P53634 2/20 0.43
LTA4H P09960 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
HDAC8 Q9BY41 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HPGDS O60760 1/20 0.41
SRR Q9GZT4 1/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL2403306 0.89 SLC7A5 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2009145 0.81 MMP1 (0.41) CTSCSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL58410 0.80 MMP2 (0.40) PTGS1CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL17980853 0.80 TACR1 (0.54) HPGDS
SCHEMBL6062940 0.79 KIF11 (0.42) PKMSLC1A3SLC1A2SLC1A1
SCHEMBL4350616 0.79 KIF11 (0.41) CTSCSLC1A3SLC1A2SLC1A1HPGD
SCHEMBL28535887 0.78 KIF11 (0.36) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1449126 0.78 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7780318 0.78 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27373982 0.78 ALPI (0.61) 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
EP-0331404-A2 Method for producing tropane alkaloid SEITAIKINOU RIYOU KAGAKUHIN SHINSEIZOUGIJUTSU KENKYU KUMIAI (JP) 1989-09-06 EP claimed
WO-2006066439-A2 RNA-SEQUENCE OR NUCLEOSIDE/NUCLEOTIDE ANALOGUES AND METHOD FOR PRODUCING THE ANALOGUES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2006-06-29 WO disclosed
EP-1674573-A1 RNA-sequence or nucleoside/nucleotide analogues and method for producing the analogues ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2006-06-28 EP disclosed
EP-1392718-B1 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT INC (CH) 2006-01-11 EP disclosed