SCHEMBL10198672

SCHEMBL10198672

C=C(O)C1(O)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP30 Q70CQ3 2/20 0.40
SCD5 Q86SK9 1/20 0.40
CYP11B2 P19099 1/20 0.39
RORC P51449 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
ACACB O00763 2/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL571118 0.89 USP2 (0.46) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL349283 0.88 USP2 (0.42) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL2520614 0.81 USP2 (0.42) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL4298314 0.80 USP2 (0.51) USP2SMN1; SMN2HPGDTSHRALOX15
SCHEMBL22405855 0.79 HPGD (0.44) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL29023689 0.78 USP2 (0.49) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL13689493 0.78 USP2 (0.49) USP2SMN1; SMN2USP30HPGDTSHR
SCHEMBL24672559 0.77 USP2 (0.51) USP2SMN1; SMN2HPGDTSHRALOX15
SCHEMBL2218646 0.77 USP2 (0.47) USP2SMN1; SMN2USP30SCD5CYP11B2
SCHEMBL25286793 0.77 USP2 (0.47) USP2SMN1; SMN2USP30SCD5CYP11B2

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
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed