SCHEMBL20107158

SCHEMBL20107158

C=C(C)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 1/20 0.36
APLNR P35414 1/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
CA7 P43166 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21588268 0.86 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL11790585 0.83 MEN1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23714991 0.82 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3131272 0.81 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18689367 0.79 TDP1 (0.48) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL10947963 0.79 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18510209 0.79 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL5841408 0.78 TDP1 (0.38) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL8083294 0.78 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL12201805 0.78 TDP1 (0.44) 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-2018081367-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed