SCHEMBL7260358

SCHEMBL7260358

O=CC(c1cc(F)cc(F)c1)c1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
NR1I2 O75469 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AR P10275 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL15528140 0.87 HDAC4 (0.41) GABRA1GABRB2TSHRIDO1TDO2
SCHEMBL8549265 0.85 GABRA1 (0.38) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL8377 0.80 GABRA1 (0.43) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL1515719 0.77 IDO1 (0.46) NR1I2TRPM8IDO1TDO2CNR2
SCHEMBL15528026 0.75 MAOB (0.40) IDO1TDO2CNR2CES2CES1
SCHEMBL26999354 0.75 UGT2B7 (0.43) GABRA1GABRB2TSHR
SCHEMBL5317299 0.75 MAPKAPK2 (0.40) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL14125895 0.75 GABRA1 (0.42) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL6631529 0.75 GABRA1 (0.38) GABRA1GABRB2TSHRTRIM24TRIM33
SCHEMBL26999259 0.75 TSHR (0.39) GABRA1GABRB2NR1I2TSHRTRIM24

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-2956443-A1 HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING Buck Institute For Research On Aging (US) 2015-12-23 EP disclosed
WO-2014127042-A1 HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-08-21 WO disclosed
WO-2003080553-A1 CYCLOPENTENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-10-02 WO disclosed