SCHEMBL14853089

SCHEMBL14853089

COC(=O)NC1CC[C@H](C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
BTK Q06187 1/20 0.40
EPHX2 P34913 2/20 0.35
JAK1 P23458 2/20 0.35
TSHR P16473 2/20 0.35
G6PD P11413 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
JAK2 O60674 1/20 0.34
EPHX1 P07099 3/20 0.33
FASN P49327 1/20 0.33
ATM Q13315 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8917098 1.00 MAPT (0.41) MAPTBTKEPHX2JAK1TSHR
SCHEMBL8916837 1.00 MAPT (0.41) MAPTBTKEPHX2JAK1TSHR
SCHEMBL12436835 0.90 EPHX2 (0.42) MAPTBTKEPHX2JAK1TSHR
SCHEMBL890177 0.90 EPHX2 (0.42) MAPTBTKEPHX2JAK1TSHR
SCHEMBL890157 0.90 EPHX2 (0.42) MAPTBTKEPHX2JAK1TSHR
SCHEMBL22722033 0.85 MAPT (0.41) MAPTBTKTSHRG6PDALDH1A1
SCHEMBL12437109 0.85 MAPT (0.41) MAPTBTKTSHRG6PDALDH1A1
SCHEMBL18526462 0.84 BTK (0.56) MAPTBTKEPHX2JAK1TSHR
SCHEMBL756367 0.84 BTK (0.56) MAPTBTKEPHX2JAK1TSHR
SCHEMBL754127 0.84 BTK (0.56) MAPTBTKEPHX2JAK1TSHR

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
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed