SCHEMBL8323981

SCHEMBL8323981

CC1(C)O[C@H]2C[C@H](NC(=O)O)C[C@H]2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.31
PPP1CA P62136 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SI P14410 1/20 0.31
ACHE P22303 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL15914392 0.76 TFPI2 (0.37) LMNAPPP1CA
SCHEMBL15914391 0.76 TFPI2 (0.37) LMNAPPP1CA
SCHEMBL458523 0.76 TFPI2 (0.37) LMNAPPP1CA
SCHEMBL2116961 0.76 TFPI2 (0.37) LMNAPPP1CA
SCHEMBL15914393 0.76 TFPI2 (0.37) LMNAPPP1CA
SCHEMBL1919103 0.72 APLNR (0.44) MAPK1NPSR1LMNAGAAMGAM
SCHEMBL1919099 0.72 APLNR (0.44) MAPK1NPSR1LMNAGAAMGAM
SCHEMBL1919105 0.72 APLNR (0.44) MAPK1NPSR1LMNAGAAMGAM
SCHEMBL23573431 0.72 ATM (0.36) LMNAMEN1KMT2A
SCHEMBL17583755 0.72 CHRNB2 (0.46) MAPK1NPSR1

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed