SCHEMBL22820949

SCHEMBL22820949

C/C=C(/CCNC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
EPHX1 P07099 1/20 0.42
CTSK P43235 2/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL16681612 0.80 GAA (0.53) TDP1GAAMEN1KMT2AMAOA
SCHEMBL18116115 0.79 TDP1 (0.55) TDP1GAAMEN1KMT2AMAOA
SCHEMBL24289755 0.79 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL3341020 0.78 TDP1 (0.67) TDP1GAAMEN1KMT2AMAOA
SCHEMBL21100640 0.77 TDP1 (0.49) TDP1GAAMEN1KMT2AMAOA
SCHEMBL24534259 0.77 TDP1 (0.49) TDP1GAAMEN1KMT2AMAOA
SCHEMBL2799440 0.77 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA
SCHEMBL4001822 0.77 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA
SCHEMBL397758 0.77 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA
SCHEMBL27769661 0.77 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA

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-2020257549-A2 COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2020-12-24 WO disclosed