SCHEMBL13740669

SCHEMBL13740669

O=C(O)CCN1OCC=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.34
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ACE P12821 1/20 0.33
KMO O15229 3/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL17177632 0.87 PTGS1 (0.54) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL7681237 0.72 GLA (0.36) PTGS1PTGS2MAPK1ALDH1A1PKM
SCHEMBL15593431 0.72 NAMPT (0.38) PTGS1PTGS2ALDH1A1SMN1; SMN2TSHR
SCHEMBL13741239 0.70 KDM4E (0.42) PTGS1PTGS2MAPK1ALDH1A1PKM
SCHEMBL15391717 0.66 PTGS1 (0.70) PTGS1PTGS2MAPK1ALDH1A1PKM
SCHEMBL34464 0.66 PTGS1 (0.70) PTGS1PTGS2MAPK1ALDH1A1PKM
Hydrochloric Acid SCHEMBL25414956 0.65 PTGS1 (0.68) PTGS1PTGS2MAPK1ALDH1A1PKM
SCHEMBL28981238 0.65 PTGS1 (0.68) PTGS1PTGS2MAPK1ALDH1A1PKM
SCHEMBL7100841 0.64 CHRM2 (0.40) MAPK1ALDH1A1PKMMAPTAPEX1
SCHEMBL22044548 0.64 PTGS1 (0.47) PTGS1PTGS2MAPK1ALDH1A1MEN1

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
EP-2090323-A1 Protein-Proteophor Complexes Complex Biosystems GmbH (DE) 2009-08-19 EP disclosed