SCHEMBL6003015

SCHEMBL6003015

[CH2]CC=Cc1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
APP P05067 1/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
AGXT P21549 1/20 0.39
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 2/20 0.37

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
SCHEMBL6950514 0.82 CYP2A6 (0.55) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL6950504 0.82 CYP2A6 (0.55) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL25508775 0.76 CYP2A6 (0.60) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL12884250 0.76 APP (0.76) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL225144 0.75 CYP2A6 (0.64) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL10105411 0.74 MAPK1 (0.50) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL1512141 0.74 APP (0.69) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL1512142 0.74 APP (0.69) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL8038562 0.73 CYP2A6 (0.67) CYP2A6APPMAPTMAPK1NPC1
SCHEMBL8038555 0.73 CYP2A6 (0.67) CYP2A6APPMAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed