SCHEMBL9815046

SCHEMBL9815046

COc1c2ccccc2c(OC)c2cc(NC(=O)CCCO)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.47
P2RY12 Q9H244 2/20 0.46
PTPRC P08575 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.45
PTPN13 Q12923 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 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
SCHEMBL9815033 0.92 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9815068 0.87 NPC1 (0.59) NPC1RAB9ASMN1; SMN2P2RY12LMNA
SCHEMBL9815031 0.85 NPSR1 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9815084 0.79 KDM4E (0.59) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9808436 0.74 L3MBTL1 (0.84) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3777911 0.72 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2MAPTP2RY12
SCHEMBL4594453 0.71 HDAC8 (0.68) L3MBTL1MAPTKDM4EHDAC3HDAC4
SCHEMBL15899235 0.70 KDM4E (0.80) SMN1; SMN2MAPTKMT2ALMNAKDM4E
SCHEMBL19501797 0.69 HDAC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11957585 0.68 NPSR1 (0.69) SMN1; SMN2L3MBTL1MAPTP2RY12KMT2A

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
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP claimed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed