SCHEMBL6002773

SCHEMBL6002773

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 1/20 0.48
▸ RHOA P61586 1/20 0.48
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ FAAH O00519 2/20 0.44
▸ PLA2G4B P0C869 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL16953371 0.79 PLA2G2A (0.43) RHOCRHOACYP1A1CYP1B1FAAH
SCHEMBL12409185 0.77 CHRNB2 (0.54) CYP1A1CYP1B1MAOBLTA4H
SCHEMBL26035837 0.76 PSEN1 (0.46) RHOCRHOAFAAHPSEN1PSEN2
SCHEMBL5016258 0.76 FAAH (0.48) RHOCRHOATSHRFAAHMAOB
SCHEMBL6002560 0.75 FAAH (0.48) RHOCRHOAFAAHLTA4H
SCHEMBL5016257 0.75 CHRNB2 (0.47) RHOCRHOACYP1A1CYP1B1FAAH
SCHEMBL28423723 0.74 NR5A1 (0.56) CYP1A1CYP1B1TP53TSHRPLA2G4B
SCHEMBL6002774 0.73 FAAH (0.46) RHOCRHOAFAAHLTA4H
SCHEMBL17056237 0.73 PLA2G2A (0.63) TP53TSHRFAAHPLA2G4B
SCHEMBL17056171 0.73 FAAH (0.44) CYP1A1CYP1B1FAAHL3MBTL1LTA4H

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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