SCHEMBL8059007

SCHEMBL8059007

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 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
SCHEMBL7527475 0.88 HSD11B1 (0.38) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL8048341 0.84 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL8063628 0.84 KDM4E (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8063626 0.84 KDM4E (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8065625 0.83 ANO1 (0.33) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL8060065 0.83 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL9010951 0.82 KMT2A (0.43) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8065523 0.82 KDM4E (0.35) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL8060000 0.82 HSD11B1 (0.36) HSD11B1KDM4EALDH1A1GAALMNA
SCHEMBL8060060 0.81 HSD11B1 (0.34) HSD11B1KDM4EALDH1A1GAALMNA

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