SCHEMBL6003333

SCHEMBL6003333

[CH2]Cc1cc(CCC)on1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
RAB9A P51151 12/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2093099 0.88 PPARA (0.46) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL4861039 0.83
SCHEMBL10154648 0.83 PPARA (0.45) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL456435 0.80 PPARA (0.43) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL1233522 0.77 PPARA (0.55) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL21690292 0.77 PPARA (0.41) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL20427474 0.77 RAB9A (0.49) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL12450498 0.75 PPARA (0.45) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL19598757 0.74 PPARA (0.49) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL2093939 0.73 PPARA (0.62) PPARARAB9ANPC1SMN1; SMN2S1PR1

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