SCHEMBL990344

SCHEMBL990344

CCCCOC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 5/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40

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
SCHEMBL1038137 0.89 CA12 (0.52) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29543716 0.89 CA12 (0.52) KDM4EALDH1A1HPGDRAB9ANPC1
Acetic Acid SCHEMBL29692693 0.87 CA12 (0.50) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29565850 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3362215 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29565914 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11457192 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29567047 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1269496 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5608845 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDRAB9ANPC1

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-2453889-A1 USE OF PROANTHOCYANIDINS FOR PRODUCTION OF AN ANTIADHESIVE PREPARATION Westfälische Wilhelms-Universität Münster (DE) 2012-05-23 EP disclosed
WO-2011006938-A1 USE OF PROANTHOCYANIDINS FOR PRODUCTION OF AN ANTIADHESIVE PREPARATION Westfälische Wilhelms Universität Münster (DE) 2011-01-20 WO disclosed