SCHEMBL6645522

SCHEMBL6645522

C=CCC(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(O)CCCOC(=O)OCCCC(O)C(CC=C)OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.39
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL6645524 0.94 KIF11 (0.39) KIF11SLC6A1SLC6A11ALDH1A1GAA
SCHEMBL6642327 0.77 SLC6A11 (0.39) KIF11SLC6A1SLC6A11ALDH1A1GAA
SCHEMBL8979349 0.74 CYP2C19 (0.35) KIF11ALDH1A1TSHRKDM4EKCNH2
SCHEMBL18486308 0.69 KIF11 (0.49) KIF11SLC6A1SLC6A11ALDH1A1GAA
SCHEMBL6645518 0.67 KIF11 (0.40) KIF11SLC6A1SLC6A11TSHRPKM
SCHEMBL20744914 0.66 KIF11 (0.38) KIF11ALDH1A1TSHRSMN1; SMN2KCNH2
SCHEMBL2837144 0.66 SLC6A11 (0.46) KIF11SLC6A1SLC6A11KCNH2KMT2A
SCHEMBL13646402 0.65 KIF11 (0.58) KIF11
SCHEMBL5598775 0.64 SLC6A11 (0.48) KIF11SLC6A1SLC6A11ALDH1A1KCNH2
SCHEMBL2631346 0.64 SLC6A11 (0.43) KIF11SLC6A1SLC6A11KCNH2KMT2A

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-1422233-A1 Chemical copying of connectivity information in branched DNA structures Von Kiedrowski, Günter (DE) 2004-05-26 EP disclosed