SCHEMBL11216735

SCHEMBL11216735

COC(=O)C=Cc1cc(OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.70
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
EGFR P00533 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
DBH P09172 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX2 P34913 1/20 0.55
MET P08581 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
PIM1 P11309 1/20 0.53

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
SCHEMBL11216729 1.00 JUN (0.70) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL17693076 0.90 JUN (0.71) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL3198145 0.89 JUN (0.81) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL3198139 0.89 JUN (0.81) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL6035429 0.88 JUN (0.75) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL17518839 0.88 EPHX2 (0.56) JUNMAPTLMNAGAAHTT
SCHEMBL17504463 0.88 JUN (0.75) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL6035433 0.88 JUN (0.75) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL11212525 0.87 JUN (0.64) JUNMAPTSMN1; SMN2POLBTDP1
SCHEMBL11212526 0.87 JUN (0.64) JUNMAPTSMN1; SMN2POLBTDP1

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-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed