SCHEMBL8065626

SCHEMBL8065626

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.34
BACE1 P56817 3/20 0.34
ANO1 Q5XXA6 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
HSP90AA1 P07900 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL8058941 0.87 ALDH1A1 (0.33) HSD17B13ANO1ALDH1A1ADORA2AADORA1
Zoxamide SCHEMBL70113 0.84 LMNA (0.36) HSD17B13ANO1ALDH1A1GAAKDM4E
Zoxamide SCHEMBL170285 0.84 LMNA (0.36) HSD17B13ANO1ALDH1A1GAAKDM4E
Zoxamide SCHEMBL7170744 0.84 LMNA (0.36) HSD17B13ANO1ALDH1A1GAAKDM4E
SCHEMBL7527475 0.83 HSD11B1 (0.38) HSD17B13ANO1ALDH1A1GAAKDM4E
Zoxamide SCHEMBL17701171 0.83 LMNA (0.35) HSD17B13ANO1ALDH1A1GAAKDM4E
SCHEMBL7572038 0.83 HSD17B13 (0.36) HSD17B13ANO1ALDH1A1GAAKDM4E
SCHEMBL7530423 0.81 GRN (0.43) ALDH1A1GAARAB9AMAPT
SCHEMBL7565659 0.81 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDMEN1
SCHEMBL8059003 0.81 LMNA (0.33) HSD17B13ANO1ALDH1A1GAAKDM4E

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