SCHEMBL28814873

SCHEMBL28814873

O=C(O)c1ccc(CCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.66
KCNH2 Q12809 7/20 0.61
TDP1 Q9NUW8 1/20 0.60
PPARD Q03181 2/20 0.59
SRD5A2 P31213 2/20 0.58
MAOB P27338 1/20 0.57

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
SCHEMBL15282049 0.85 PLA2G4B (0.87) PLA2G4BTDP1SRD5A2MAOB
SCHEMBL11292187 0.83 KCNH2 (0.61) KCNH2PPARD
SCHEMBL27754142 0.82 S1PR4 (0.47) PLA2G4BKCNH2TDP1PPARDSRD5A2
SCHEMBL25381694 0.81 KCNH2 (0.62) KCNH2PPARD
SCHEMBL11133663 0.81 KCNH2 (0.63) KCNH2PPARD
SCHEMBL29151310 0.81 KCNH2 (0.63) KCNH2PPARD
SCHEMBL14967365 0.80 NR4A2 (0.73) PLA2G4BMAOB
SCHEMBL4327125 0.80 PKM (0.73) PLA2G4BSRD5A2
SCHEMBL5390756 0.80 PKM (0.73) PLA2G4BSRD5A2
SCHEMBL9137849 0.79 SRD5A2 (0.75) PLA2G4BTDP1SRD5A2MAOB

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
CN-104202999-A Use of para nitro amino derivatives in feed for reducing me-thane emission in ruminants DSM IP ASSETS BV 2014-12-10 CN disclosed