SCHEMBL6002271

SCHEMBL6002271

COc1ccc([O])c(-c2ccccc2Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
PGR P06401 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL2097326 0.79 PTGS2 (0.49) BRD4LTA4HHTTKMT2ALMNA
SCHEMBL2203391 0.75 TSHR (0.58) BRD4LTA4HALDH1A1MAPK1HTT
SCHEMBL2090390 0.75 BRD4 (0.48) BRD4LTA4HALDH1A1MAPK1HTT
SCHEMBL11553003 0.74 NCOA1 (0.50) BRD4LTA4HALDH1A1MAPK1HTT
SCHEMBL11015595 0.74 CA12 (0.65) LTA4HALDH1A1MAPK1HTTL3MBTL1
SCHEMBL6406032 0.73 NCOA1 (0.55) BRD4LTA4HALDH1A1MAPK1HTT
SCHEMBL7038165 0.72 L3MBTL1 (0.55) BRD4ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL16109474 0.72 HDAC4 (0.65) ALDH1A1MAPK1HTTL3MBTL1MEN1
Nitrogen SCHEMBL11336114 0.71 CA12 (0.61) LTA4HALDH1A1MAPK1HTTL3MBTL1
SCHEMBL19497666 0.71 LTA4H (0.55) LTA4HALDH1A1MAPK1HTTL3MBTL1

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