SCHEMBL8065521

SCHEMBL8065521

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 5/20 0.32
GAA P10253 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
SLC6A3 Q01959 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8065532 0.86 L3MBTL1 (0.31) L3MBTL1
SCHEMBL8065530 0.86 L3MBTL1 (0.31) L3MBTL1
SCHEMBL8048341 0.85 HSD11B1 (0.36) HSD11B1ALDH1A1GAAKDM4EGLA
SCHEMBL7527475 0.81 HSD11B1 (0.38) HSD11B1ALDH1A1GAAKDM4EMAPT
SCHEMBL8059007 0.80 HSD11B1 (0.37) HSD11B1ALDH1A1GAAKDM4EMAPT
SCHEMBL8061077 0.78 S1PR3 (0.33) HSD11B1ALDH1A1GAAKDM4EHTT
SCHEMBL8060060 0.78 HSD11B1 (0.34) HSD11B1ALDH1A1GAAKDM4EHTT
SCHEMBL8065523 0.76 KDM4E (0.35) HSD11B1ALDH1A1GAAKDM4EMAPT
SCHEMBL8059015 0.75 HSD11B1 (0.37) HSD11B1ALDH1A1GAAKDM4EMAPT
SCHEMBL8061265 0.75 GAA (0.34) HSD11B1ALDH1A1GAAKDM4EMAPT

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