SCHEMBL11438696

SCHEMBL11438696

C=CCN(C(=O)Oc1cccc(NC(=O)OCCC)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 2/20 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
SCHEMBL11438701 0.92 MAPK1 (0.51) HPGDBCHEACHERAB9ANPC1
SCHEMBL11433689 0.89 GAA (0.45) BCHEACHERAB9ANPC1MAPT
SCHEMBL11425788 0.85 BCHE (0.46) HPGDBCHEACHERAB9ANPC1
SCHEMBL11656529 0.84 HSD17B10 (0.49) HPGDBCHEACHERAB9ANPC1
SCHEMBL11439836 0.84 BCHE (0.43) BCHEACHERAB9ANPC1MAPT
SCHEMBL11267015 0.84 GAA (0.45) HPGDBCHEACHERAB9ANPC1
SCHEMBL11431875 0.84 GAA (0.47) HPGDBCHEACHERAB9ANPC1
SCHEMBL11427127 0.83 HPGD (0.54) HPGDBCHEACHERAB9ANPC1
SCHEMBL11433969 0.82 GAA (0.44) HPGDBCHEACHERAB9ANPC1
SCHEMBL11432579 0.81 HPGD (0.51) HPGDRAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229208-A Diurethanes with selective herbicidal action SCHERING AG (DE) 1980-10-21 US disclosed