SCHEMBL9765218

SCHEMBL9765218

CCOC(=O)[C@H](C)SC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP2C19 P33261 1/20 0.37
PPOX P50336 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.36
CASP3 P42574 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL9765185 0.88 KDM4E (0.35)
SCHEMBL9765188 0.88 KDM4E (0.35) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL9765196 0.84 PPOX (0.40) PPOX
SCHEMBL9765210 0.83 KMT2A (0.38) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9765200 0.82 PPOX (0.46) PPOX
SCHEMBL9765536 0.82 KMT2A (0.37) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9765169 0.78 SLC6A2 (0.37) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9740999 0.78 KMT2A (0.39) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9765177 0.77 SLC6A2 (0.36) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2981904 0.77 PPOX (0.37) MAPTALDH1A1PPOXMAPK1HTT

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
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed