SCHEMBL20782862

SCHEMBL20782862

C=CC(=C)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 3/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
CA7 P43166 1/20 0.35
CTSK P43235 3/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21687230 0.84 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2348040 0.83 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19407027 0.83 TDP1 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19650421 0.82 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL12801496 0.82 TDP1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19407029 0.82 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8295860 0.81 MAOA (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL25837470 0.81 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18689367 0.80 TDP1 (0.48) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19356230 0.80 EPHX1 (0.36) TDP1ALDH1A1TSHREPHX1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094827-A1 SPIROCYCLIC CAV2.3 ANTAGONISTS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021163629-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
EP-2892891-B1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2019-07-31 EP disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed