SCHEMBL6000886

SCHEMBL6000886

CC(C)(C[O])c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
FLT3 P36888 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
HPGD P15428 2/20 0.41
TYR P14679 1/20 0.41
DAO P14920 1/20 0.41
AKR1B1 P15121 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 2/20 0.40
CYP1A2 P05177 1/20 0.40
NT5E P21589 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL10287250 0.84 LOXL2 (0.43) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL21275553 0.82 LOXL2 (0.42) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL23692162 0.79 MAOB (0.43) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL800706 0.79 KDM4E (0.44) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL5776749 0.76 FLT3 (0.46) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL8036000 0.76 KDM4E (0.46) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL18909497 0.74 LOXL2 (0.39) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL28018770 0.74 KDM4E (0.44) CYP2A6FLT3LOXL2MEN1KMT2A
SCHEMBL18768389 0.74 FLT3 (0.49) FLT3MEN1KMT2AMAOBMAOA
SCHEMBL13713849 0.73 CYP19A1 (0.42) CYP2A6FLT3LOXL2MEN1KMT2A

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
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