SCHEMBL6002570

SCHEMBL6002570

CCCCO[CH]COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.40
LTA4H P09960 2/20 0.40
CETP P11597 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALOX5 P09917 1/20 0.38
AR P10275 1/20 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
SCHEMBL317686 0.80 TSHR (0.58) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9360571 0.79 LTA4H (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2879364 0.79 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1ALOX5
SCHEMBL29098435 0.78 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL27961981 0.78 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30186165 0.77 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30856524 0.77 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30856538 0.77 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3969873 0.77 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3965126 0.77 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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