SCHEMBL10754247

SCHEMBL10754247

CC1(CBr)CCCC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C3 P42330 1/20 0.30

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
SCHEMBL3916209 0.83 SIRT2 (0.42) SIRT2LMNAALDH1A1TSHRAKR1C3
SCHEMBL3972621 0.82 SIRT2 (0.49) SIRT2LMNAALDH1A1TSHRAKR1C3
SCHEMBL3661237 0.80 SIRT2 (0.47) SIRT2LMNAALDH1A1TSHR
SCHEMBL3654855 0.77 SIRT2 (0.53) SIRT2ALDH1A1
SCHEMBL3658352 0.76 SIRT2 (0.59) SIRT2
SCHEMBL3658750 0.74 SIRT2 (0.61) SIRT2
SCHEMBL3660815 0.74 SIRT2 (0.61) SIRT2
SCHEMBL494066 0.73
SCHEMBL21464548 0.72 MEN1 (0.33) SIRT2LMNAALDH1A1TSHR
SCHEMBL21464547 0.72 MEN1 (0.33) SIRT2LMNAALDH1A1TSHR

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-0231714-A1 Nematicide and insecticide compositions containing heterocyclic compounds RHONE-POULENC AGROCHIMIE (FR) 1987-08-12 EP disclosed