SCHEMBL3121111

SCHEMBL3121111

C=COC(Cc1ccc(CC(OC=C)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 2/20 0.34
ACP3 P15309 2/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL17616788 0.82 ALDH1A1 (0.51) SLC6A4SMN1; SMN2CYP2C19SIGMAR1PPARG
SCHEMBL8710389 0.77 EPHX1 (0.44) SLC6A2SLC6A4SLC6A3EPHX1ACP3
SCHEMBL25385930 0.76 AOC3 (0.39) SLC6A2SLC6A4SLC6A3CYP2C19MEN1
SCHEMBL17616745 0.75 G6PD (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL3440959 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3EPHX1ACP3
SCHEMBL6514136 0.73 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SMN1; SMN2EPHX1
SCHEMBL971331 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3EPHX1ACP3
SCHEMBL2918968 0.72 SIGMAR1 (0.48) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL28661132 0.70 SIGMAR1 (0.37) SLC6A2SLC6A4SLC6A3SMN1; SMN2EPHX1
SCHEMBL5611768 0.70 CYP2C19 (0.36) SMN1; SMN2CYP2C19MEN1KMT2A

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-2161248-A1 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2010-03-10 EP disclosed