SCHEMBL8730866

SCHEMBL8730866

CCC(C)(CC)Oc1cccc(Cl)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SLC6A9 P48067 1/20 0.35
PBRM1 Q86U86 1/20 0.35
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL8735074 0.86 POLB (0.50) POLBTSHRALDH1A1PBRM1FEN1
SCHEMBL8735186 0.82 ALDH1A1 (0.43) POLBALDH1A1LMNASLC6A9KDM4E
SCHEMBL8733056 0.80 SLC6A9 (0.44) POLBTSHRALDH1A1SLC6A9L3MBTL1
SCHEMBL8732638 0.77 HPGD (0.63) POLBALDH1A1LMNASLC6A9KDM4E
SCHEMBL27796522 0.76 CA12 (0.55) POLBTSHRALDH1A1KDM4EL3MBTL1
SCHEMBL27671437 0.75 IRAK4 (0.56) LMNAKDM4EL3MBTL1IRAK4
SCHEMBL8761377 0.74 ALDH1A1 (0.41) TSHRPPARGPPARAALDH1A1LMNA
SCHEMBL8735064 0.71 CA12 (0.48) POLBTSHRALDH1A1PBRM1FEN1
SCHEMBL8733055 0.71 ALDH1A1 (0.59) POLBALDH1A1LMNAFEN1KDM4E
SCHEMBL320037 0.71 ALDH1A1 (0.61) POLBTSHRALDH1A1LMNAPBRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US disclosed