SCHEMBL5151387

SCHEMBL5151387

COc1ccc(/C=C/C(=O)OCCCCCCCCCCCBr)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TNFRSF1A P19438 1/20 0.56
AKR1B10 O60218 6/20 0.56
AKR1B1 P15121 6/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LY96 Q9Y6Y9 1/20 0.54
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
BACE1 P56817 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5151394 1.00 MAPT (0.58) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL8007239 0.89 MAPT (0.59) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL2226678 0.89 MAPT (0.59) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL8152728 0.81 MAPT (0.55) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL28445243 0.81 HDAC8 (0.55) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL28445241 0.81 HDAC8 (0.55) MAPTALDH1A1MEN1KMT2AAKR1B10
SCHEMBL4592405 0.81 MAPT (0.68) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL4592398 0.81 MAPT (0.68) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL31155849 0.81 HDAC8 (0.62) MAPTALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL8150697 0.79 MAPT (0.58) MAPTALDH1A1MEN1KMT2ATNFRSF1A

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-1738821-A1 Method of reducing the level of nitrogen oxides in a medium by absorption with resorcin¬4|arenes British American Tobacco Italia S.p.A. (IT) 2007-01-03 EP disclosed