SCHEMBL9181908

SCHEMBL9181908

CC(=Cc1cccc(Oc2ccc(C)cc2)c1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
TLR4 O00206 2/20 0.48
TLR2 O60603 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
ABL2 P42684 1/20 0.48
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 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
SCHEMBL9181907 1.00 FBP1 (0.53) FBP1TLR4TLR2ABL1EGFR
SCHEMBL8625071 0.90 FBP1 (0.66) FBP1TLR4TLR2ABL1EGFR
SCHEMBL8625069 0.90 FBP1 (0.66) FBP1TLR4TLR2ABL1EGFR
SCHEMBL7104674 0.81 FBP1 (0.60) FBP1ABL1EGFRABL2CYP1A2
SCHEMBL7104672 0.81 FBP1 (0.60) FBP1ABL1EGFRABL2CYP1A2
SCHEMBL14230254 0.79 FBP1 (0.66) FBP1ABL1EGFRABL2TDP1
SCHEMBL10772748 0.79 FBP1 (0.65) FBP1TLR4TLR2ABL1EGFR
SCHEMBL11546305 0.77 FBP1 (0.54) FBP1ABL1EGFRABL2HTT
SCHEMBL2748049 0.76 FBP1 (0.66) FBP1ABL1EGFRABL2CYP1A2
SCHEMBL2748046 0.76 FBP1 (0.66) FBP1ABL1EGFRABL2CYP1A2

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-0381291-B1 Oximino ether compounds SHELL INT RESEARCH (NL) 1995-08-23 EP disclosed
EP-0381291-A1 Oximino ether compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-08 EP disclosed