SCHEMBL7375698

SCHEMBL7375698

COC(C)NC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CAPN1 P07384 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 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
SCHEMBL24813067 0.86 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL9355239 0.85 TDP1 (0.57) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7207224 0.82 TDP1 (0.69) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15502140 0.82 TDP1 (0.60) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14156468 0.81 CAPN1 (0.55) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL31467206 0.80 TDP1 (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL16620050 0.80 MEN1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8356302 0.80 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21501449 0.79 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8353561 0.79 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A

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
WO-2002051810-A2 INTEGRIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed