SCHEMBL8060060

SCHEMBL8060060

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 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
SCHEMBL8061076 0.86 KDM4E (0.31) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL7527475 0.82 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8048341 0.81 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8059007 0.81 HSD11B1 (0.37) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8065521 0.78 HSD11B1 (0.33) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8065523 0.77 KDM4E (0.35) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8059015 0.76 HSD11B1 (0.37) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8061265 0.76 GAA (0.34) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8065538 0.76 HSD11B1 (0.35) HSD11B1KDM4EALDH1A1GAAHTT
SCHEMBL8060065 0.75 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GAAHTT

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