SCHEMBL6697462

SCHEMBL6697462

CCCCC1(OC)CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
VNN1 O95497 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.30
APP P05067 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3163627 0.85 ALDH1A1 (0.34) MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL23536632 0.82 VNN1 (0.38) L3MBTL1MEN1KMT2ACYP2D6VNN1
SCHEMBL6134036 0.80 USP2 (0.43) SMN1; SMN2
SCHEMBL1315531 0.77 CYP2D6 (0.35) MEN1KMT2ACYP2D6VNN1OPRM1
SCHEMBL5974563 0.75 USP2 (0.34) MEN1KMT2ACYP2D6VNN1CYP46A1
SCHEMBL27746269 0.73 CYP46A1 (0.30) CYP46A1
SCHEMBL18040925 0.73 JAK2 (0.35) MEN1KMT2ACYP2D6CYP46A1ALDH1A1
SCHEMBL6134891 0.73 USP2 (0.46) SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL6134918 0.73 CES2 (0.33)
SCHEMBL4782236 0.72 OPRM1 (0.49) L3MBTL1MEN1KMT2ATDP1OPRM1

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
WO-2004113368-A1 CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2004-12-29 WO disclosed