SCHEMBL8079688

SCHEMBL8079688

O=C(C(F)F)C(F)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.48
MMP9 P14780 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNH2 Q12809 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TNF P01375 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL27762101 0.83 UGT2B7 (0.50) UGT2B7MMP9CES2CES1ATM
SCHEMBL11467664 0.77 SLC6A3 (0.50) UGT2B7MMP9KMT2ASLC6A3
SCHEMBL713841 0.75 CES2 (0.53) CES2CES1MEN1KMT2ASLC6A2
SCHEMBL11479799 0.74 UGT2B7 (0.48) UGT2B7MMP9CES2CES1ATM
SCHEMBL27994700 0.74 UGT2B7 (0.52) UGT2B7MMP9ATMMEN1KMT2A
SCHEMBL1538879 0.73 UGT2B7 (0.61) UGT2B7MMP9ATMMEN1KMT2A
SCHEMBL27512232 0.73 UGT2B7 (0.62) UGT2B7MMP9ATMMEN1KMT2A
SCHEMBL12699944 0.73 CES2 (0.67) CES2CES1MEN1KMT2ASLC6A2
SCHEMBL27767536 0.73 AKR1C3 (0.48) UGT2B7MMP9ATMMEN1KMT2A
SCHEMBL28629846 0.71 UGT2B7 (0.46) UGT2B7MMP9ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030840-A CONTACTING CHELATED LANTHANIDE METAL IONS BOUND TO MARKER WITH BUFFERED SOLUTION OF DETERGENT, ENHANCER REAGENT AND POLYANION; IONS DISSOCIATE FROM MARKER AND REASSOCIATE WITH ENHANCER; THEN DETERMINING AMOUNT OF IONS LIBERATED NEN LIFE SCIENCES, INC. (US) 2000-02-29 US claimed
WO-1999066333-A1 NEUTRAL ENHANCEMENT OF LANTHANIDES FOR TIME RESOLVED FLUORESCENCE NEN LIFE SCIENCE PRODUCTS, INC. (US) 1999-12-23 WO claimed
CN-118150554-A Application of chemiluminescent microarray chip 上海索昕生物科技有限公司 2024-06-07 CN disclosed
CN-118010974-A Homogeneous phase chemiluminescence detection kit 科美博阳诊断技术(上海)有限公司 2024-05-10 CN disclosed