SCHEMBL749504

SCHEMBL749504

CC(C)(C)OC(=O)C1CN(C(=O)O)CCN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL30289051 0.87 USP2 (0.44) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL2392691 0.87 USP2 (0.44) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL5599503 0.83 ITGB2 (0.36) SMN1; SMN2MAPT
SCHEMBL28451158 0.83 ITGB2 (0.36) SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28060468 0.82 ITGB2 (0.35) SMN1; SMN2MAPT
SCHEMBL19617775 0.82 MAPT (0.33) MAPT
SCHEMBL28286923 0.81 HRH3 (0.33) HRH3USP2SMN1; SMN2
SCHEMBL28114989 0.81 HRH3 (0.33) HRH3USP2SMN1; SMN2
SCHEMBL3306996 0.79 MAPT (0.39) MAPT
SCHEMBL7379626 0.79 MAPK1 (0.36) HRH3MAPK1HPGD

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed