SCHEMBL8167643

SCHEMBL8167643

CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)C(Br)Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ANO1 Q5XXA6 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL8060065 0.88 HSD11B1 (0.36) ALDH1A1GAAKDM4EANO1ERAP1
SCHEMBL7027760 0.88 ALDH1A1 (0.34) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL7161750 0.88 ALDH1A1 (0.34) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL8156479 0.86 GRN (0.45) ALDH1A1GRNSORT1CYP2D6
SCHEMBL9010890 0.84 ERAP1 (0.34) CA2ANO1ERAP1HTTL3MBTL1
SCHEMBL7022082 0.83 LMNA (0.38) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL7166819 0.83 LMNA (0.38) ALDH1A1GAAKDM4ECA1CA2
Zoxamide SCHEMBL170285 0.81 LMNA (0.36) ALDH1A1GAAKDM4ECA1CA2
Zoxamide SCHEMBL7170744 0.81 LMNA (0.36) ALDH1A1GAAKDM4ECA1CA2
Zoxamide SCHEMBL70113 0.81 LMNA (0.36) ALDH1A1GAAKDM4ECA1CA2

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-0815727-B1 Use of N-acetonylbenzamides for controlling resistant fungi ROHM & HAAS (US) 2000-08-16 EP disclosed
US-5891918-A Method for controlling resistant fungi ROHM AND HAAS COMPANY (US) 1999-04-06 US disclosed
EP-0815727-A1 Method for controlling resistant fungi ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed