SCHEMBL7725259

SCHEMBL7725259

CCn1c(Cl)c(-c2cc(OC(C)=O)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7692993 0.89
SCHEMBL7703288 0.85 BACE1 (0.35) BACE1CYP4F2CYP4A11KDM4EGLA
SCHEMBL6934941 0.85 CYP2C19 (0.38) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL6939016 0.83 PTGDR2 (0.35) GAA
SCHEMBL7699926 0.81 LMNA (0.33) KDM4EGAAHPGD
SCHEMBL7693942 0.80 HTT (0.44) GAAALDH1A1HPGD
SCHEMBL6940394 0.80 PGK1 (0.36)
SCHEMBL6938395 0.79 MRGPRX4 (0.38) ALDH1A1
SCHEMBL7694736 0.78 FKBP1A (0.52) KDM4EGLAGAAALDH1A1
SCHEMBL6935033 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US claimed