SCHEMBL29956535

SCHEMBL29956535

O=CC1CCN(CCC(=O)NC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMYD3 Q9H7B4 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29957446 0.92 SIGMAR1 (0.60) SIGMAR1SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL29956260 0.83 SIGMAR1 (0.51) SIGMAR1ALDH1A1
SCHEMBL2560850 0.82 POLB (0.49) SIGMAR1POLBHTTSMN1; SMN2L3MBTL1
SCHEMBL29956117 0.82 SIGMAR1 (0.47) SIGMAR1SMYD3SMN1; SMN2ALDH1A1MAPT
SCHEMBL2558828 0.81 POLB (0.47) SIGMAR1POLBHTTSMN1; SMN2L3MBTL1
SCHEMBL13661594 0.80 SIGMAR1 (0.64) SIGMAR1POLBSMYD3SMN1; SMN2L3MBTL1
SCHEMBL29956997 0.79 POLB (0.46) SIGMAR1POLBHTTSMN1; SMN2L3MBTL1
SCHEMBL2555804 0.78 HTT (0.45) SIGMAR1POLBHTTSMN1; SMN2L3MBTL1
SCHEMBL29950821 0.77 SIGMAR1 (0.60) SIGMAR1ALDH1A1HPGD
SCHEMBL2559294 0.77 POLB (0.44) SIGMAR1POLBHTTSMN1; SMN2L3MBTL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed