SCHEMBL9062006

SCHEMBL9062006

COc1cc(COC(=O)Oc2ccccc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP2C19 P33261 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 2/20 0.48
CTSD P07339 2/20 0.47
HTT P42858 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 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
SCHEMBL29462425 0.90 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL13324861 0.90 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL26661473 0.86 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL13324859 0.82 HTR2A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL11593080 0.82 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL30010692 0.81 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9062019 0.81 LMNA (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL27610152 0.81 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL11012775 0.80 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3122029 0.80 MAOB (0.52) SMN1; SMN2ALDH1A1HPGDL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482867-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. (NL) 1996-01-09 US disclosed
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US disclosed
US-5252743-A Using cage binding compound AFFYMAX TECHNOLOGIES N.V. (NL) 1993-10-12 US disclosed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP disclosed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP disclosed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO disclosed