SCHEMBL8539261

SCHEMBL8539261

COc1ccc(C(C)CC(O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
ACP3 P15309 1/20 0.50
TRPA1 O75762 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.46
SLC5A2 P31639 1/20 0.46
GPR88 Q9GZN0 1/20 0.46
PBRM1 Q86U86 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL11035088 0.86 TRPA1 (0.61) AOC3TRPA1KDM4EL3MBTL1
SCHEMBL16685763 0.86 TRPA1 (0.61) AOC3TRPA1KDM4EL3MBTL1
SCHEMBL327629 0.82 AOC3 (0.63) AOC3ACP3GAATDP1ALDH1A1
SCHEMBL11251522 0.80 AOC3 (0.58) AOC3KMT2AGAATDP1MEN1
SCHEMBL4454111 0.80 CA1 (0.52) AOC3GAATDP1ALDH1A1L3MBTL1
SCHEMBL22291711 0.80 CA1 (0.52) AOC3GAATDP1ALDH1A1L3MBTL1
SCHEMBL19820875 0.79 L3MBTL1 (0.48) ACP3TRPA1KMT2AGAAMEN1
SCHEMBL11579350 0.77 LDHA (0.58) ACP3KMT2AKDM4EGAASMN1; SMN2
SCHEMBL7767976 0.77 ALDH1A1 (0.59) AOC3ACP3KDM4EGAASMN1; SMN2
SCHEMBL5861277 0.77 AOC3 (0.50) AOC3KMT2AKDM4EGAASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed