SCHEMBL21343528

SCHEMBL21343528

CCC(=O)NCCCCC(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TSHR P16473 4/20 0.54
EPHX2 P34913 4/20 0.53
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.48
CASP2 P42575 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL19934140 0.94 MEN1 (0.64) MEN1KMT2ATSHREPHX2RECQL
SCHEMBL2771342 0.88 RECQL (0.63) MEN1KMT2ATSHREPHX2LMNA
SCHEMBL13376980 0.86 RECQL (0.61) TSHREPHX2LMNARECQLCASP2
SCHEMBL1709284 0.85 MEN1 (0.56) MEN1KMT2ATSHREPHX2RECQL
SCHEMBL16864016 0.85 CASP2 (0.69) TSHREPHX2RECQLCASP2
SCHEMBL15399777 0.83 TSHR (0.65) MEN1KMT2ATSHREPHX2LMNA
SCHEMBL23052003 0.83 CASP2 (0.67) EPHX2RECQLCASP2CA12CA2
SCHEMBL6584132 0.83 CASP2 (0.67) EPHX2RECQLCASP2CA12CA2
SCHEMBL8576702 0.83 CASP2 (0.67) EPHX2RECQLCASP2CA12CA2
SCHEMBL9118774 0.83 CASP2 (0.67) EPHX2RECQLCASP2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed