SCHEMBL23652134

SCHEMBL23652134

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.64
▸ SLC15A1 P46059 2/20 0.59
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ MMP2 P08253 1/20 0.45
▸ ACE P12821 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL2186466 0.81 LTA4H (0.69) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL16657025 0.81 LTA4H (0.69) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL30008647 0.81 LTA4H (0.69) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL11242073 0.81 LTA4H (0.61) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL12226789 0.80 CA2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12226603 0.80 CA2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL9265067 0.77 LTA4H (0.97) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL13515476 0.77 LTA4H (0.73) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL28563957 0.77 ALPI (0.46) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL28563960 0.77 ALPI (0.46) LTA4HSLC15A1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 — — EP disclosed
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