SCHEMBL3379114

SCHEMBL3379114

CCCC(=O)OCC1CCC2CCCN21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 8/20 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
SCHEMBL2267046 0.81 CHRNB2 (0.35) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3260323 0.81 CHRNB2 (0.35) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL2267050 0.81 CHRNB2 (0.35) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL30707697 0.78 CHRM3 (0.35) HRH3CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL25957050 0.72 HDAC8 (0.32) SIGMAR1
SCHEMBL10992013 0.70 CHRNB2 (0.39) LMNACHRNB2CHRNA7CHRNA4
SCHEMBL26024215 0.70 POLB (0.51) POLBALDH1A1SIGMAR1
SCHEMBL22784190 0.69 CHRNB2 (0.35) LMNACHRNB2CHRNA7CHRNA4
SCHEMBL28454663 0.68 CHRNB2 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL26786826 0.68 ALDH1A1 (0.34) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed