SCHEMBL8105819

SCHEMBL8105819

CCOC(=O)C(C)(NC(=S)OC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45
MMP8 P22894 1/20 0.45
PIN1 Q13526 1/20 0.43
KCNN4 O15554 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8115153 0.84 ALDH1A1 (0.58) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL7619320 0.78 MMP8 (0.43) ALDH1A1RECQLMMP8PIN1POLB
Hydrochloric Acid SCHEMBL5967099 0.77 MMP8 (0.42) ALDH1A1RECQLMMP8PIN1POLB
SCHEMBL19663910 0.75 MMP8 (0.46) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL8906360 0.75 MMP8 (0.43) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL2653063 0.73 SMN1; SMN2 (0.45) MMP8PIN1POLBMAPTTHRB
SCHEMBL29156932 0.73 CHRM2 (0.64) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL395978 0.73 PIN1 (0.54) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL2910521 0.73 PIN1 (0.54) ALDH1A1RECQLMMP8PIN1KCNN4
SCHEMBL2422372 0.73 PIN1 (0.54) ALDH1A1RECQLMMP8PIN1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642502-B1 FUNGICIDAL IMIDAZOLINONES DU PONT (US) 2000-07-12 EP disclosed
EP-1008589-A1 Fungicidal imidazolinones E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-06-14 EP disclosed
EP-0642502-A1 FUNGICIDAL IMIDAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-15 EP disclosed
WO-1993024467-A1 FUNGICIDAL IMIDAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-09 WO disclosed