SCHEMBL6579790

SCHEMBL6579790

O=C(O)c1cccc2cc(O)c(O)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10529134 0.77 KDM4E (0.50) ALDH1A1ALOX12KDM4EHPGDHSD17B10
SCHEMBL28202043 0.76 ALDH1A1 (0.49) ALDH1A1LMNAALOX12GRIN2DGRIN2A
SCHEMBL14678041 0.75 KEAP1 (0.49) ALDH1A1LMNAALOX12GRIN2DGRIN2A
SCHEMBL902623 0.75 ALDH1A1 (0.66) ALDH1A1LMNAALOX12NR4A1NR4A2
SCHEMBL10520040 0.75 GRIN2D (0.50) ALDH1A1LMNAALOX12GRIN2DGRIN2A
SCHEMBL6005307 0.75 KMT2A (0.49) ALDH1A1ALOX12KDM4EHPGDHSD17B10
SCHEMBL1697008 0.74 ALDH1A1 (0.50) ALDH1A1LMNAALOX12NR4A1NR4A2
SCHEMBL10555620 0.74 ALDH1A1 (0.70) ALDH1A1LMNAALOX12NR4A1NR4A2
SCHEMBL7568792 0.74 ALDH1A1 (0.46) ALDH1A1LMNAALOX12GRIN2DGRIN2A
SCHEMBL368304 0.74 PARP1 (0.51) ALDH1A1LMNAALOX12NR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434735-A1 STABILIZED HYDROXYLAMINE SOLUTIONS BASF Aktiengesellschaft (DE) 2004-07-07 EP claimed
WO-2003031330-A1 STABILIZED HYDROXYLAMINE SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 2003-04-17 WO claimed
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1989002431-A1 DERIVATIVES OF D-GLUTAMIC ACID AND D-ASPARTIC ACID ABBOTT LABORATORIES (US) 1989-03-23 WO disclosed