SCHEMBL7375702

SCHEMBL7375702

CCN(OC)C(=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
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL8356482 0.84 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL8356396 0.84 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL24418335 0.83 TDP1 (0.58) TDP1MAOAMAOBCA12CA1
SCHEMBL18688676 0.83 TDP1 (0.58) TDP1MAOAMAOBCA12CA1
SCHEMBL3222258 0.83 TDP1 (0.58) TDP1MAOAMAOBCA12CA1
SCHEMBL500234 0.81 TDP1 (0.55) TDP1MAOAMAOBCA12CA1
SCHEMBL8356253 0.81 TDP1 (0.63) TDP1MAOAMAOBCA12CA1
SCHEMBL137629 0.78 TDP1 (0.85) TDP1MAOAMAOBCA12CA1
SCHEMBL136815 0.78 TDP1 (0.85) TDP1MAOAMAOBCA12CA1
SCHEMBL3025184 0.78 TDP1 (0.85) TDP1MAOAMAOBCA12CA1

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