SCHEMBL7715671

SCHEMBL7715671

CC(=O)NCCCC[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
PAOX Q6QHF9 3/20 0.40
ADRA1A P35348 1/20 0.39
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL6608268 0.90 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL13888625 0.81 TDP1 (0.70) TDP1MAOAMAOBKDM4EMAPK1
SCHEMBL10744068 0.80 CTSK (0.40) TDP1CA12CA1CA14
SCHEMBL16979083 0.80 TDP1 (0.73) TDP1MAOAMAOBKDM4EMAPK1
SCHEMBL7715674 0.80 TDP1 (0.73) TDP1MAOAMAOBKDM4EMAPK1
SCHEMBL8323964 0.79 KDM4E (0.60) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL16929983 0.79 TDP1 (0.41) TDP1MAOAMAOBCA12CA1
SCHEMBL15824368 0.79 TDP1 (0.41) TDP1MAOAMAOBCA12CA1
SCHEMBL6611754 0.79 MAOA (0.40) TDP1MAOAMAOBMEN1GAA
SCHEMBL8535338 0.79 TDP1 (0.38) TDP1MAOAMAOBMEN1GAA

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed