SCHEMBL27754142

SCHEMBL27754142

O=C(O)c1ccc(CCOc2cc(Cl)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.47
PLA2G4B P0C869 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
KCNH2 Q12809 2/20 0.43
NR4A2 P43354 1/20 0.43
PPARD Q03181 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
SRD5A2 P31213 2/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G4A P47712 1/20 0.41
HTT P42858 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
SCHEMBL2963612 0.88 PLA2G4B (0.60) PLA2G4BRXRARXRBRXRGNR4A2
SCHEMBL28814873 0.82 PLA2G4B (0.66) PLA2G4BTDP1KCNH2PPARDSRD5A2
SCHEMBL4374627 0.76 NR4A2 (0.71) PLA2G4BRXRARXRBRXRGNR4A2
SCHEMBL29223417 0.75 KMT2A (0.51) PLA2G4BRXRARXRBNR4A2MEN1
SCHEMBL2957643 0.75 MAPT (0.55) PLA2G4BMAPTMEN1LMNAKMT2A
SCHEMBL2957648 0.74 MAOB (0.51) S1PR4PLA2G4BRXRARXRBRXRG
SCHEMBL28571002 0.73 MEN1 (0.50) S1PR4MAPTMEN1LMNAKMT2A
SCHEMBL4226983 0.72 TTR (0.56) MAPTKCNH2MEN1KMT2AALDH1A1
SCHEMBL25381694 0.72 KCNH2 (0.62) KCNH2PPARDALDH1A1
SCHEMBL27906256 0.71 MRGPRX4 (0.42) RXRARXRBRXRGMAPTPPARD

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-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed