SCHEMBL8063589

SCHEMBL8063589

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ANO1 Q5XXA6 5/20 0.33
EPHX2 P34913 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
HSD17B13 Q7Z5P4 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7527475 0.91 HSD11B1 (0.38) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8061132 0.91 KDM4E (0.32) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8065625 0.91 ANO1 (0.33) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8065523 0.88 KDM4E (0.35) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8061265 0.86 GAA (0.34) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8061077 0.82 S1PR3 (0.33) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8060058 0.82 HTT (0.35) HSD11B1GAAKDM4EALDH1A1ANO1
SCHEMBL8048446 0.82 ALDH1A1 (0.42) GAAALDH1A1KMT2AMEN1NPC1
SCHEMBL8063668 0.82 GAA (0.38) GAAKDM4EALDH1A1HSD17B13RAB9A
SCHEMBL8061131 0.82 ANO1 (0.33) HSD11B1GAAKDM4EALDH1A1ANO1

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