SCHEMBL14980439

SCHEMBL14980439

COc1cc(-c2cccc(C(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.65
ALDH1A1 P00352 4/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
GFER P55789 1/20 0.61
ABCB1 P08183 2/20 0.57
FYN P06241 3/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
ERN1 O75460 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BRAF P15056 1/20 0.47

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
SCHEMBL31431633 0.87 ERN1 (0.64) TNFRSF1AFYNMAOAMAOBERN1
SCHEMBL4121356 0.87 ERN1 (0.64) TNFRSF1AFYNMAOAMAOBERN1
SCHEMBL430038 0.86 TUBB4A (0.59) TNFRSF1AFYNTSHR
SCHEMBL10316407 0.85 FYN (0.60) TNFRSF1AALDH1A1MAPTPOLBABCB1
SCHEMBL10227283 0.81 TUBB4A (0.54) TNFRSF1AMAPTFYN
SCHEMBL4114637 0.81 BRAF (0.61) ALDH1A1POLBERN1BRAF
SCHEMBL10389918 0.80 MAP4K4 (0.59) ALDH1A1MAPTFYNMEN1KMT2A
SCHEMBL12599367 0.80 ALDH1A1 (0.56) TNFRSF1AALDH1A1MAPTPOLBGFER
SCHEMBL2552382 0.80 TNFRSF1A (0.61) TNFRSF1AALDH1A1ABCB1FYNERN1
SCHEMBL4424350 0.80 CYP1A1 (0.63) ALDH1A1ABCB1FYNMEN1KMT2A

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
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed