SCHEMBL3160931

SCHEMBL3160931

CCc1ccccc1CC(N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.61
NOS1 P29475 3/20 0.61
NOS2 P35228 3/20 0.61
SLC7A5 Q01650 3/20 0.60
PKM P14618 2/20 0.60
ALPI P09923 1/20 0.60
PTGS1 P23219 1/20 0.60
XIAP P98170 1/20 0.60
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
BLM P54132 2/20 0.53
PMP22 Q01453 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 2/20 0.53
MPO P05164 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.51
RECQL P46063 2/20 0.51

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
SCHEMBL8741952 1.00 NOS3 (0.61) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL9164980 0.92 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL13971424 0.92 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
Hydrochloric Acid SCHEMBL9169793 0.90 SLC7A5 (0.67) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL27742175 0.87 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL14478225 0.87 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL9066677 0.85 SLC7A5 (0.60) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL8085428 0.85 SLC7A5 (0.60) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL20513564 0.85 SLC7A5 (0.60) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL7924230 0.85 SLC7A5 (0.60) NOS3NOS1NOS2SLC7A5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831243-B1 ANTIBODY BINDING AFFINITY LIGANDS NOVO NORDISK AS (DK) 2010-03-17 EP disclosed
EP-0738155-A4 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE PARTNERS L P (US) 1997-03-19 EP disclosed
EP-0738155-A1 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE, INC. (US) 1996-10-23 EP disclosed
EP-0649443-A4 OXAZOLONE DERIVED MATERIALS. LEGOMER PARTNERS LP (US) 1995-11-08 EP disclosed
WO-1995017903-A1 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE PARTNERS, L.P. (US) 1995-07-06 WO disclosed
EP-0649443-A1 OXAZOLONE DERIVED MATERIALS LEGOMER PARTNERS, L.P. (US) 1995-04-26 EP disclosed
WO-1994000509-A9 OXAZOLONE DERIVED MATERIALS 1994-03-17 WO disclosed
WO-1994000509-A1 OXAZOLONE DERIVED MATERIALS LEGOMER PARTNERS, L.P. (US) 1994-01-06 WO disclosed