SCHEMBL8142187

SCHEMBL8142187

COCCC(=O)NNCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RECQL P46063 1/20 0.49
CYP1A2 P05177 1/20 0.47
PTGS2 P35354 1/20 0.47
HDAC3 O15379 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL12615941 0.85 ALDH1A1 (0.54) TSHRLMNAALDH1A1CYP2C19CYP1A2
SCHEMBL8533502 0.83 TSHR (0.69) TSHRLMNAALDH1A1KDM4ECYP2C19
SCHEMBL8843835 0.80 ALDH1A1 (0.66) LMNAALDH1A1HDAC3GAAHPGD
SCHEMBL1073501 0.78 CYP3A4 (0.51) LMNAALDH1A1CYP2C19CYP3A4L3MBTL1
SCHEMBL8843319 0.77 P2RX7 (0.54) LMNAALDH1A1CYP2C19CYP3A4L3MBTL1
SCHEMBL8843236 0.77 CYP3A4 (0.49) LMNAALDH1A1CYP2C19CYP3A4L3MBTL1
SCHEMBL6698215 0.77 GAA (0.61) TSHRLMNACYP2C19CYP3A4L3MBTL1
SCHEMBL8843411 0.75 ALDH1A1 (0.59) LMNAALDH1A1KDM4EL3MBTL1HDAC3
SCHEMBL14781027 0.75 MEN1 (0.77) LMNAALDH1A1CYP2C19CYP3A4L3MBTL1
SCHEMBL8802684 0.75 HDAC1 (0.63) LMNAHDAC3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914574-A2 NEW PROCESS Cambrex Karlskoga Ab (SE) 2015-09-09 EP disclosed
WO-2014068333-A2 NEW PROCESS CAMBREX KARLSKOGA AB (SE) 2014-05-08 WO disclosed
WO-2000000463-A1 ANTICONVULSANT ENANTIOMERIC AMINO ACID DERIVATIVES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-01-06 WO disclosed