SCHEMBL5016258

SCHEMBL5016258

CCCCOc1ccc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.48
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ RHOA P61586 1/20 0.41
▸ ATP4A P20648 1/20 0.41
▸ ATP4B P51164 1/20 0.41
▸ LTA4H P09960 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PSEN1 P49768 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
SCHEMBL2492282 0.81 CYP2D6 (0.59) CYP1A2CYP2D6KDM4EPDE4ASMN1; SMN2
SCHEMBL12409185 0.79 CHRNB2 (0.54) CYP2D6MAOBATP4AATP4BLTA4H
SCHEMBL26035837 0.78 PSEN1 (0.46) FAAHCYP2D6RHOCRHOAATP4A
SCHEMBL5016257 0.77 CHRNB2 (0.47) FAAHMAOBRHOCRHOALTA4H
SCHEMBL28423723 0.76 NR5A1 (0.56) CYP2D6ATP4AATP4BLTA4HTSHR
SCHEMBL6002773 0.76 RHOC (0.48) FAAHL3MBTL1MAOBRHOCRHOA
SCHEMBL6002774 0.76 FAAH (0.46) FAAHSMN1; SMN2RHOCRHOALTA4H
SCHEMBL16961046 0.76 FAAH (0.42) FAAHCYP2D6L3MBTL1LTA4HALOX5
SCHEMBL18758480 0.75 FAAH (0.43) FAAHCYP2D6L3MBTL1ATP4AATP4B
SCHEMBL18758592 0.75 FAAH (0.45) FAAHCYP2D6L3MBTL1ALOX5PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
Send feedback