SCHEMBL9730895

SCHEMBL9730895

CC(C)(C)OC(=O)N1C[C@H](CN)C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTRA1 Q92743 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 1/20 0.35
TGM2 P21980 1/20 0.34
HSD11B1 P28845 1/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL9637002 1.00 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL9636995 1.00 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL9731580 1.00 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL9732493 1.00 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL12907027 0.92 NR1H2 (0.40) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL8611458 0.88 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL8610457 0.88 NR1H2 (0.42) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL1645992 0.87 NR1H2 (0.43) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL1914761 0.87 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2
SCHEMBL7807219 0.87 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10HTRA1CYP1A2

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
US-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US disclosed