SCHEMBL4551488

SCHEMBL4551488

O=C1CCCCCCCC(=O)COC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL1521980 0.87
SCHEMBL29654872 0.82 CA1 (0.55) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL6276620 0.82
SCHEMBL4856643 0.81 CA1 (0.68) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL30542348 0.76 TRIM24 (0.92) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL5859315 0.76 TRIM24 (0.92) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL3393620 0.76 TRIM24 (0.92) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL22235588 0.76 TRIM24 (0.92) TRIM24TRIM33ALDH1A1CA1CA9
SCHEMBL5860290 0.76 TRIM24 (0.92) TRIM24TRIM33ALDH1A1CA1CA9
Cyclohexanone SCHEMBL9561320 0.73 CA1 (0.71) TRIM24TRIM33ALDH1A1CA1CA9

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-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed