SCHEMBL7707764

SCHEMBL7707764

CC(C)(CCCN)OC(C)(C)CCCN

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
FDPS P14324 1/20 0.32
PDE3A Q14432 1/20 0.32
DNM1 Q05193 5/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
KIF11 P52732 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL962922 0.81 CYP2D6 (0.32)
SCHEMBL15289609 0.80
SCHEMBL21610909 0.79
SCHEMBL37539 0.78
Hydrochloric Acid SCHEMBL16632263 0.78 ALDH1A1 (0.39) NFKB1FDPSPDE3ADNM1TSHR
SCHEMBL21095351 0.76 ODC1 (0.32) KIF11ODC1
SCHEMBL10027675 0.74 ODC1 (0.36) ODC1
SCHEMBL27805430 0.73
SCHEMBL1683353 0.73 TSHR (0.35) FDPSTSHRLMNAALDH1A1
SCHEMBL10100188 0.72 ODC1 (0.35) ODC1

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
EP-1226167-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY Akzo Nobel N.V. (NL) 2002-07-31 EP disclosed
WO-2001029081-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY AKZO NOBEL N.V. (NL) 2001-04-26 WO disclosed