SCHEMBL8022902

SCHEMBL8022902

FC(F)(F)c1ccccc1-c1cccc(-c2ccccc2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
SCN9A Q15858 2/20 0.43
ENPP1 P22413 2/20 0.41
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
AR P10275 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FABP4 P15090 1/20 0.39
NOTUM Q6P988 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
SCHEMBL5109985 0.84 HSD11B1 (0.51) HSD11B1SCN9AALDH1A1HPGDAR
SCHEMBL163729 0.83 HSD11B1 (0.55) HSD11B1SCN9AALDH1A1HPGDAR
SCHEMBL12853958 0.82 PDK2 (0.46) HSD11B1SCN9AENPP1PDK2ALDH1A1
SCHEMBL12853969 0.82 PDK2 (0.46) HSD11B1SCN9AENPP1PDK2ALDH1A1
Water SCHEMBL7091891 0.81 AR (0.55) HSD11B1SCN9AALDH1A1HPGDAR
Ammonia Solution, Strong SCHEMBL28126322 0.81 HSD11B1 (0.53) HSD11B1SCN9AALDH1A1HPGDAR
Ethyne SCHEMBL27849625 0.81 HSD11B1 (0.53) HSD11B1SCN9AALDH1A1HPGDAR
Water SCHEMBL27916635 0.81 AR (0.55) HSD11B1SCN9AALDH1A1HPGDAR
Hydrogen Sulfide SCHEMBL27686805 0.81 HSD11B1 (0.53) HSD11B1SCN9AALDH1A1HPGDAR
Methane SCHEMBL28022370 0.81 HSD11B1 (0.53) HSD11B1SCN9AALDH1A1HPGDAR

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
WO-2000045435-A1 POLYIMIDES USED AS MICROELECTRONIC COATINGS THE UNIVERSITY OF AKRON (US) 2000-08-03 WO disclosed