SCHEMBL3360733

SCHEMBL3360733

COCCCc1cc(Cl)ccc1OC.[MgH2]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL3354468 0.97 LMNA (0.43) LMNAHTTMAPK1HPGDL3MBTL1
SCHEMBL19697696 0.83 L3MBTL1 (0.44) LMNAHPGDL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7428432 0.83 KDM4E (0.47) HPGDL3MBTL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11291506 0.83 ADRB2 (0.39) HPGDL3MBTL1KDM4ESMN1; SMN2CA1
SCHEMBL7486627 0.83 KDM4E (0.39) HPGDL3MBTL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7429609 0.81 POLB (0.40) LMNAHPGDKDM4ESMN1; SMN2CA1
SCHEMBL7433867 0.81 POLB (0.44) LMNAHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3360919 0.80 KDM4E (0.48) LMNAHTTL3MBTL1KDM4ESMN1; SMN2
SCHEMBL3360173 0.80 ADRA1A (0.40) ADRA1ATAAR1
SCHEMBL16791808 0.80 POLB (0.43) LMNAHPGDKDM4ESMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
EP-2189442-A1 Process and intermediates for the preparation of aliskiren Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-05-26 EP disclosed