SCHEMBL6002774

SCHEMBL6002774

CCCCOc1ccc(C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.46
▸ SLC2A1 P11166 3/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ RHOC P08134 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2088414 0.84 FAAH (0.48) FAAHSLC2A1PTGESALOX5PPARG
SCHEMBL6002560 0.84 FAAH (0.48) FAAHSLC2A1PTGESALOX5PPARG
SCHEMBL12409185 0.77 CHRNB2 (0.54) PPARALTA4H
SCHEMBL16953374 0.77 FAAH (0.41) FAAHPTGESALOX5PPARGPPARA
SCHEMBL11398112 0.76 LTA4H (0.61) FAAHSLC2A1PSMB1PSMB5LTA4H
SCHEMBL26035837 0.76 PSEN1 (0.46) FAAHPTGESALOX5PPARGPPARA
SCHEMBL5016258 0.76 FAAH (0.48) FAAHALOX5PPARGRHOCRHOA
SCHEMBL6336026 0.75 PSMB1 (0.54) PSMB1PSMB5LTA4H
SCHEMBL5016257 0.75 CHRNB2 (0.47) FAAHPTGESALOX5PPARGPPARA
SCHEMBL12204146 0.74 SMN1; SMN2 (0.50) SLC2A1PSMB1PSMB5LTA4HMAPK1

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
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