SCHEMBL21394881

SCHEMBL21394881

CCC(C)n1cc(C(=O)OC)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
STAT3 P40763 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.40
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL12890137 0.84 LMNA (0.48) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL1857270 0.80 PTGS2 (0.50) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL14966301 0.78 KDM4E (0.43) LMNAKDM4EGAASTAT3ALDH1A1
SCHEMBL9340989 0.77 TSHR (0.45) LMNAKDM4EALDH1A1MAPTTDP1
SCHEMBL1503865 0.77 MAPK1 (0.51) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL4428207 0.75 OPRD1 (0.51) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL1255539 0.74 LMNA (0.62) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL22861795 0.74 CA12 (0.49) LMNAKDM4EGAAALDH1A1MAPT
SCHEMBL25422243 0.74 LMNA (0.58) LMNAKDM4EGAAALDH1A1SLC6A2
SCHEMBL15024022 0.73 LMNA (0.57) LMNAKDM4EGAAALDH1A1SLC6A2

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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed