SCHEMBL20979416

SCHEMBL20979416

CC1CCC(OC(=O)NCC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
EPHX1 P07099 3/20 0.41
EGLN1 Q9GZT9 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BBOX1 O75936 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12166670 0.80 LMNA (0.48) EPHX1ALDH1A1LMNA
SCHEMBL12820520 0.77 EPHX1 (0.61) EPHX1EGLN1ALDH1A1PDE4APDE4B
SCHEMBL12166450 0.75 MAPT (0.45) CYP19A1EPHX1EGLN1GAAMAPT
SCHEMBL2866869 0.75 EPHX1 (0.65) EPHX1EGLN1ALDH1A1PDE4APDE4B
SCHEMBL13195790 0.74 CYP19A1 (0.46) CYP19A1EPHX1TRPM8LMNA
SCHEMBL12167270 0.73 EPHX1 (0.67) CYP19A1EPHX1GAAALDH1A1
SCHEMBL18203087 0.73 EPHX1 (0.67) CYP19A1EPHX1GAAALDH1A1
SCHEMBL2860088 0.72 EPHX1 (0.43) EPHX1EGLN1GAAALDH1A1
SCHEMBL25785978 0.72 EPHX1 (0.42) CYP19A1EPHX1TRPM8
SCHEMBL18265727 0.72 EPHX1 (0.70) CYP19A1EPHX1TRPM8GAAALDH1A1

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
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 EP disclosed