SCHEMBL19746780

SCHEMBL19746780

C=CC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.37
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CTSK P43235 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL19746544 0.83 SMN1; SMN2 (0.38) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL31191651 0.81 USP2 (0.42) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL21216418 0.81 USP2 (0.41) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL570830 0.78 USP2 (0.42) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL22323275 0.76 USP2 (0.41) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL27354187 0.76 USP2 (0.38) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL7695181 0.76 USP2 (0.43) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL2320202 0.75 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2GPR119
SCHEMBL10150809 0.75 USP2 (0.40) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL12331225 0.75 NR1H2 (0.40) USP2SMN1; SMN2NR1H2HPGDEPHX2

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
WO-2017223349-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2017-12-28 WO disclosed