SCHEMBL9548583

SCHEMBL9548583

NC(=O)OCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL9548582 0.83 TSHR (0.32) LMNATSHR
SCHEMBL9548577 0.81 TSHR (0.31) TSHR
SCHEMBL10895703 0.79 ALDH1A1 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28006761 0.78 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28077865 0.71
SCHEMBL9548592 0.71
SCHEMBL8712167 0.70 LMNA (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL16499942 0.69 LMNA (0.43) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL225621 0.69 LMNA (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL10481065 0.68

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-5194103-A Plasticizers in plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-16 US disclosed