SCHEMBL13625754

SCHEMBL13625754

CO/C=C\[C@H]1[C@H](CN)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL115092 0.91 ALDH1A1 (0.34) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL144798 0.85 DRD2 (0.37) SMN1; SMN2ALDH1A1POLBEPHX1
SCHEMBL116350 0.85 CHRM2 (0.39) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL116242 0.85 CHRM2 (0.39) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL21338831 0.77 HSD17B10 (0.39) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL21338832 0.77 HSD17B10 (0.39) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL22036328 0.73 HSD17B10 (0.45) HSD17B10SMN1; SMN2HPGDALDH1A1EPHX1
SCHEMBL116492 0.73 ALDH1A1 (0.37) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL20629743 0.73 ALDH1A1 (0.37) HSD17B10SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL7819626 0.73 HSD17B10 (0.45) HSD17B10SMN1; SMN2HPGDALDH1A1EPHX1

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-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed