SCHEMBL8076357

SCHEMBL8076357

Nc1cc(CO)cc(C(=O)NC(CO)C(O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
LNPEP Q9UIQ6 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7592569 0.77 KDM4E (0.43) LNPEPKDM4EALDH1A1LMNAGAA
SCHEMBL7654698 0.72 KDM4E (0.44) ROCK2ROCK1KDM4EALDH1A1POLB
SCHEMBL4609315 0.71 TAS1R3 (0.38) ROCK2ROCK1TAS1R3TAS1R1NPC1
SCHEMBL15358753 0.71 TAS1R3 (0.38) ROCK2ROCK1TAS1R3TAS1R1NPC1
SCHEMBL7589533 0.70 TPMT (0.46) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL1172633 0.70 TSHR (0.39) KDM4ELMNAPOLBMAPTHTT
SCHEMBL5073532 0.69 KDM4E (0.54) NPC1RAB9AKDM4ENSD2ALDH1A1
Hydrochloric Acid SCHEMBL7596506 0.69 TPMT (0.45) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL3600242 0.68 SLC7A5 (0.48) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL8415185 0.68 GAA (0.41) NPC1KDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828705-B1 IODINATION PROCESS NYCOMED IMAGING AS (NO) 2000-08-23 EP disclosed
EP-0828705-A1 IODINATION PROCESS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
WO-1996037461-A1 IODINATION PROCESS NYCOMED IMAGING A.S (NO) 1996-11-28 WO disclosed