SCHEMBL9268448

SCHEMBL9268448

COC(=O)c1ccc(COc2ccc3ccccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
MAPT P10636 3/20 0.71
ALOX5 P09917 2/20 0.62
RAB9A P51151 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP3A4 P08684 1/20 0.58
KCNH2 Q12809 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
POLB P06746 2/20 0.56
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
PTPN7 P35236 1/20 0.54
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
F2 P00734 1/20 0.52

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
SCHEMBL28152490 0.96 ALOX5 (0.67) NPC1MAPTALOX5RAB9AMEN1
SCHEMBL7791330 0.91 RAB9A (0.62) NPC1MAPTALOX5RAB9AMEN1
SCHEMBL1777985 0.89 ALOX5 (0.60) NPC1MAPTALOX5RAB9AMEN1
SCHEMBL1779167 0.89 ALOX5 (0.59) NPC1MAPTALOX5RAB9AMEN1
SCHEMBL10236929 0.85 RAB9A (0.82) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL11350421 0.85 RAB9A (0.82) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL31556116 0.84 MAOB (0.58) NPC1MAPTALOX5RAB9AMEN1
SCHEMBL10615958 0.84 NPC1 (0.58) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL7405217 0.84 F2 (0.65) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6162284 0.83 SMN1; SMN2 (0.79) NPC1MAPTRAB9AMEN1KMT2A

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
US-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 US disclosed
US-4682193-A HEAT SENSITIVE, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1987-07-21 US disclosed