SCHEMBL13825537

SCHEMBL13825537

Bc1cc(OCC(F)(F)F)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
PAX8 Q06710 2/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PLA2G2A P14555 1/20 0.41
NR4A2 P43354 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL977465 0.88 MAPT (0.55) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL27893393 0.88 L3MBTL1 (0.51) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL22530375 0.82 MRGPRX4 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL29434530 0.82 MRGPRX4 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL2277550 0.81 L3MBTL1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL14812142 0.81 MEN1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL10068550 0.78 MEN1 (0.46) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL2566899 0.78 MRGPRX4 (0.50) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL25209013 0.76 L3MBTL1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL21268338 0.75 L3MBTL1 (0.46) ALDH1A1L3MBTL1MEN1KMT2AMAPT

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-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed