SCHEMBL5133200

SCHEMBL5133200

C=CCC1CCN(C(=O)O)CC1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL709070 0.83 PDE4B (0.42) ALDH1A1
SCHEMBL5133713 0.78 ALDH1A1 (0.35) SLC6A2SLC6A4SLC6A3GAASMN1; SMN2
SCHEMBL14968794 0.77 SMN1; SMN2 (0.41) SLC6A2SLC6A4SLC6A3GAASMN1; SMN2
SCHEMBL21360158 0.74 ELANE (0.34) GAAALDH1A1
SCHEMBL14636183 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GAASMN1; SMN2
SCHEMBL354630 0.74 CHRM2 (0.39) SLC6A2SLC6A4ALDH1A1
SCHEMBL3605608 0.73 MEN1 (0.41) ALDH1A1
SCHEMBL24215540 0.73 PDE4B (0.46) SMN1; SMN2ALDH1A1
SCHEMBL21902891 0.73 PDE4B (0.46) SMN1; SMN2ALDH1A1
SCHEMBL17850683 0.73 PDE4B (0.46) SMN1; SMN2ALDH1A1

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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed