SCHEMBL8487702

SCHEMBL8487702

O=C(NC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.54
TERT O14746 2/20 0.46
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
ITGAV P06756 3/20 0.39
ITGB1 P05556 2/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
HPGDS O60760 1/20 0.38

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
SCHEMBL8488000 1.00 ALOX5 (0.54) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL8487602 0.87 ALOX5 (0.53) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL8488358 0.87 ALOX5 (0.53) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL8489543 0.87 ALOX5 (0.53) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL7669752 0.85 ALOX5 (0.59) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL407186 0.84 CA2 (0.50) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL11247265 0.84 CA2 (0.50) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL407185 0.84 CA2 (0.50) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL8488598 0.84 ALOX5 (0.50) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL8487220 0.84 ALOX5 (0.50) ALOX5TERTKDM4EALDH1A1HPGD

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
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO claimed
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO disclosed