SCHEMBL28316668

SCHEMBL28316668

O=C(O)CC(CF)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
GABBR2 O75899 5/20 0.47
GABBR1 Q9UBS5 5/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
ITGB3 P05106 3/20 0.41

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
SCHEMBL660764 0.90 FNTA (0.54) FFAR1GABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL7334847 0.88 FNTA (0.52) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL17869032 0.84 GABBR2 (0.66) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL5378079 0.83 FFAR1 (0.52) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL351502 0.83 GABBR2 (0.70) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL351702 0.83 GABBR2 (0.70) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL6780687 0.81 FNTA (0.48) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL658678 0.80 FNTA (0.50) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL12197892 0.80 FFAR1 (0.48) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL7566814 0.80 FFAR1 (0.48) FFAR1GABBR2GABBR1LMNACYP2C9

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
CN-110088096-A Piperidine derivatives as inhibitors of ubiquitin-specific protease 7 阿尔麦克探索有限公司 2019-08-02 CN disclosed