SCHEMBL6003117

SCHEMBL6003117

[CH2]C(CCCC)OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.46
ALOX5 P09917 3/20 0.46
PPARG P37231 3/20 0.46
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FDFT1 P37268 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
PSEN1 P49768 1/20 0.36
MAOB P27338 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL6003120 0.84 EPHX1 (0.47) PTGESALOX5PPARGTAAR1KCNH2
SCHEMBL8780020 0.80 PPARG (0.46) PTGESALOX5PPARGPSEN1
SCHEMBL23134271 0.78 MEN1 (0.44) PTGESALOX5PPARGTAAR1MEN1
SCHEMBL23134263 0.75 TAAR1 (0.47) TAAR1MEN1KMT2AKCNH2TMEM97
SCHEMBL14263144 0.75 TAAR1 (0.50) TAAR1MEN1KMT2AFDFT1KCNH2
SCHEMBL3910376 0.74 TAAR1 (0.57) TAAR1FDFT1MAOBIDO1
SCHEMBL27652962 0.73 CTSK (0.47) PTGESALOX5PPARGKCNH2IDO1
SCHEMBL2089930 0.72 TAAR1 (0.55) TAAR1MAOB
SCHEMBL2615716 0.71 FAAH (0.57) TAAR1
SCHEMBL9352104 0.71 TAAR1 (0.53) TAAR1MAOB

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