SCHEMBL9164980

SCHEMBL9164980

N[C@@H](Cc1ccccc1C[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.69
PKM P14618 2/20 0.69
ALPI P09923 1/20 0.69
PTGS1 P23219 1/20 0.69
XIAP P98170 1/20 0.69
NOS3 P29474 3/20 0.66
NOS1 P29475 3/20 0.66
NOS2 P35228 3/20 0.66
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
BLM P54132 2/20 0.59
PMP22 Q01453 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
MPO P05164 1/20 0.59
TSHR P16473 1/20 0.59
USP2 O75604 2/20 0.57
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL13971424 1.00 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
Hydrochloric Acid SCHEMBL9169793 0.98 SLC7A5 (0.67) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL8741952 0.92 NOS3 (0.61) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL20513564 0.92 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL3160931 0.92 NOS3 (0.61) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL8085428 0.92 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL7924230 0.92 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9066677 0.92 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL30404131 0.92 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1818794 0.92 SLC7A5 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647237-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-04-12 EP disclosed
WO-1993024522-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed