SCHEMBL27629317

SCHEMBL27629317

[CH2]Cc1cccc(C=Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.50
MAOB P27338 3/20 0.50
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.50
LCK P06239 1/20 0.49
RELA Q04206 1/20 0.45
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TTR P02766 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 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
SCHEMBL610896 0.82 CNR2 (0.38) NFE2L2MAOBMAOALCKHDAC4
SCHEMBL610897 0.82 CNR2 (0.38) NFE2L2MAOBMAOALCKHDAC4
SCHEMBL27492384 0.81 KDM4E (0.59) HDAC4MEF2DKDM4EALDH1A1PKM
SCHEMBL28753500 0.80 MAOB (0.50) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL9454709 0.79 ALDH1A1 (0.52) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL9335390 0.79 TSHR (0.52) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL16105668 0.79 TP53 (0.52) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL8622975 0.79 ALDH1A1 (0.52) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL9335412 0.79 TSHR (0.52) NFE2L2MAOBCYP19A1MAOALCK
SCHEMBL9454625 0.79 TSHR (0.52) NFE2L2MAOBCYP19A1MAOALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed