SCHEMBL9258077

SCHEMBL9258077

N[C@@H](Cc1ccccc1NCCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.54
NOS1 P29475 3/20 0.54
NOS2 P35228 3/20 0.54
SLC7A5 Q01650 2/20 0.54
PKM P14618 2/20 0.54
ALPI P09923 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
GRIK1 P39086 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11764797 0.81 NOS3 (0.58) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL27931844 0.79 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL27931843 0.79 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL1104647 0.78 SLC7A5 (0.65) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9164980 0.76 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL13971424 0.76 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL31689557 0.75 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL6513356 0.75 GAA (0.54) PKMPTGS1KDM6BKDM4CKDM4E
Phenylalanine SCHEMBL9396067 0.74 SLC7A5 (0.88) SLC7A5PKMALPIPTGS1XIAP
Dl-Phenylalanine SCHEMBL2319690 0.74 SLC7A5 (0.88) SLC7A5PKMALPIPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346742-B1 Stable aqueous epoxy resin dispersion, process for its preparation and its use HOECHST AG (DE) 1995-09-06 EP disclosed
EP-0272595-B1 Aqueous stable epoxy resin dispersion, process for its preparation and its use HOECHST AG (DE) 1994-01-26 EP disclosed
US-4987163-A SKIN-FREE PAINTS, MOLDING MATERIALS, ADHESIVES HOECHST AG (DE) 1991-01-22 US disclosed
US-4886845-A COATINGS, PAINTS, MOLDING MATERIALS; POLYEPOXIDES, POLYETHERS, CATALYIC POLYMERIZATION, CURING HOECHST AG (DE) 1989-12-12 US disclosed
EP-0272595-A2 Aqueous stable epoxy resin dispersion, process for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-29 EP disclosed