SCHEMBL7803198

SCHEMBL7803198

COc1ccc(C(SCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.68
KCNH2 Q12809 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
SLC6A1 P30531 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
SCHEMBL12694290 0.91 KIF11 (0.72) KIF11KCNH2SIRT2SLC6A1
SCHEMBL1081184 0.91 KIF11 (0.72) KIF11KCNH2SIRT2SLC6A1
SCHEMBL3727708 0.85 KIF11 (0.59) KIF11
SCHEMBL13741458 0.83 KIF11 (0.74) KIF11KCNH2SIRT2
SCHEMBL1929857 0.82 KIF11 (0.60) KIF11SLC6A1
SCHEMBL12417490 0.81 KIF11 (1.00) KIF11
SCHEMBL12847629 0.81 KIF11 (0.72) KIF11SIRT2
SCHEMBL16328982 0.81 KIF11 (0.72) KIF11KCNH2SIRT2
SCHEMBL22328130 0.81 KIF11 (0.67) KIF11SIRT2SLC6A1
SCHEMBL12417494 0.81 KIF11 (0.67) KIF11SIRT2SLC6A1

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-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed