SCHEMBL8551054

SCHEMBL8551054

CC[CH]C(=O)OCNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
TGM2 P21980 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PLAU P00749 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL6133091 0.85 HCAR2 (0.61) LMNAALDH1A1L3MBTL1MAPTNPC1
SCHEMBL18355142 0.83 HCAR2 (0.56) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL10876313 0.80 ALDH1A1 (0.73) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL15745845 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL3487087 0.79 LMNA (0.61) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL137308 0.78 LMNA (0.65) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL15745846 0.78 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL15216787 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL27647417 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL13035566 0.77 LMNA (0.55) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed