SCHEMBL8065534

SCHEMBL8065534

CCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)C(F)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.36
ADRB1 P08588 4/20 0.35
ADRB2 P07550 3/20 0.35
LMNA P02545 3/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.35
ERAP1 Q9NZ08 1/20 0.33
ANO1 Q5XXA6 2/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8059015 0.90 HSD11B1 (0.37) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8065538 0.89 HSD11B1 (0.35) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8060050 0.87 ADRB1 (0.38) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8060000 0.87 HSD11B1 (0.36) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8060065 0.86 HSD11B1 (0.36) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8060014 0.84 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060018 0.84 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8065571 0.84 HSD11B1 (0.35) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL7527475 0.80 HSD11B1 (0.38) HSD11B1ADRB1ADRB2LMNAHTR1A
SCHEMBL8059007 0.79 HSD11B1 (0.37) HSD11B1ADRB1ADRB2LMNAHTR1A

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-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed