SCHEMBL8523005

SCHEMBL8523005

C=CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.45
KCNH2 Q12809 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
CA4 P22748 1/20 0.41
LTA4H P09960 2/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL2856185 0.86 KIF11 (0.50) KIF11TSHRALDH1A1CYP3A4ALOX15
SCHEMBL13160251 0.86 SLC6A11 (0.42) KIF11KCNH2TSHRALDH1A1TP53
SCHEMBL3997642 0.85 KIF11 (0.46) KIF11KCNH2SLC6A1SLC6A11CA4
SCHEMBL3996218 0.81 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11CA4
SCHEMBL8007610 0.81 CTSK (0.39) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL20742533 0.81 CTSK (0.39) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL20742531 0.81 CTSK (0.39) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL7803735 0.81 KIF11 (0.43) KIF11KCNH2SLC6A1SLC6A11CA4
SCHEMBL21902445 0.80 SLC6A11 (0.39) KIF11KCNH2TSHRALDH1A1TP53
SCHEMBL20644235 0.80 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954612-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1999-11-10 EP claimed
WO-1998020166-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1998-05-14 WO claimed
EP-0954612-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1999-11-10 EP disclosed
WO-1998020166-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1998-05-14 WO disclosed