SCHEMBL28045809

SCHEMBL28045809

CC(C)(C)C(=O)ON1CCC(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
CCR5 P51681 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
CCR3 P51677 2/20 0.45
LIPE Q05469 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MGLL Q99685 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL5202187 0.88 SLC2A1 (0.53) SLC2A1CCR5HIF1AEPAS1CCR3
SCHEMBL28045840 0.85 OPRM1 (0.47) CCR5KDM4E
SCHEMBL27846335 0.85 CCR5 (0.51) CCR5ALDH1A1
SCHEMBL28010202 0.84 MEN1 (0.44) CCR3ALDH1A1
SCHEMBL27791259 0.84 CCR3 (0.45) CCR5CCR3SLC6A2SLC6A4ALDH1A1
SCHEMBL27579513 0.82 CARM1 (0.56) LPLLIPGMGLLKDM4EALDH1A1
SCHEMBL28853073 0.81 GAA (0.48) ALDH1A1
SCHEMBL16112715 0.81 TGFBR1 (0.54) SLC2A1CCR5LIPECYP2C9CYP2C19
SCHEMBL1812750 0.81 SLC2A1 (0.48) SLC2A1CCR5HIF1AEPAS1CCR3
SCHEMBL1760952 0.81 LPL (0.49) SLC2A1CCR5HIF1AEPAS1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed