SCHEMBL11101876

SCHEMBL11101876

CC(=CCO)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ KIF11 P52732 15/20 0.36
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL11101874 1.00 KDM4E (0.39) KDM4EKIF11CHRM2CHRM1CHRM3
SCHEMBL11101870 1.00 KDM4E (0.39) KDM4EKIF11CHRM2CHRM1CHRM3
SCHEMBL11102133 0.74 KIF11 (0.43) KIF11
SCHEMBL11102137 0.74 KIF11 (0.43) KIF11
SCHEMBL11102138 0.74 KIF11 (0.43) KIF11
SCHEMBL27415070 0.70 KIF11 (0.45) KIF11CYP2C19HIF1A
SCHEMBL7156969 0.70 KIF11 (0.38) KIF11
SCHEMBL929816 0.67 KIF11 (0.41) KIF11CYP2C19HIF1A
SCHEMBL12944446 0.66 KIF11 (0.52) KIF11
SCHEMBL11102402 0.65 KIF11 (0.38) KDM4EKIF11CYP2C19

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-0105658-A1 Beta-lactam compounds BEECHAM GROUP PLC (GB) 1984-04-18 — — EP disclosed
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