SCHEMBL8490304

SCHEMBL8490304

C=C[C@H]1CCN(C(=O)C2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
HSD11B1 P28845 11/20 0.50
HSD11B2 P80365 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43

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
SCHEMBL29607150 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL4679326 0.77 ALDH1A1 (0.67) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL30060822 0.76 ALDH1A1 (0.55) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL2124587 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22468368 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2124591 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25501601 0.74 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL27024183 0.74 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL14197780 0.73 ALDH1A1 (0.61) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2
SCHEMBL1307123 0.73 ALDH1A1 (0.61) ALDH1A1TSHRHSD11B1HSD11B2SMN1; SMN2

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-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed