SCHEMBL13625755

SCHEMBL13625755

CCOC(=O)C1[C@@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.39
FKBP1A P62942 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.37
HSD17B10 Q99714 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
SCHEMBL116260 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL14294773 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL2572675 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL18336025 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL13625758 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL38660321 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL116483 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL25204927 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL5319920 0.86 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10
SCHEMBL15690447 0.86 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10

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