SCHEMBL628428

SCHEMBL628428

CCN(CCOC)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.38
ADH1C P00326 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHI3L1 P36222 1/20 0.32
SIGMAR1 Q99720 3/20 0.31
TMEM97 Q5BJF2 1/20 0.31
EBP Q15125 1/20 0.31
HPGD P15428 1/20 0.31
ABCB11 O95342 1/20 0.30
LMNA P02545 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
SCHEMBL22200610 0.90 SLC6A2 (0.37) ADH1AADH1CMEN1KMT2ASLC6A2
SCHEMBL14160972 0.82 ALDH1A1 (0.41) ADH1AADH1CALDH1A1CYP2D6CYP2C9
SCHEMBL23653664 0.81 SLC6A2 (0.33) SLC6A2SLC6A4CHI3L1
SCHEMBL6184745 0.81 SLC6A2 (0.51) SLC6A2SLC6A4
SCHEMBL21214484 0.79 CHI3L1 (0.37) MEN1KMT2ASLC6A2SLC6A4ALDH1A1
SCHEMBL24996686 0.79 MEN1 (0.42) ADH1AADH1CMEN1KMT2AALDH1A1
SCHEMBL10241835 0.79 LPAR3 (0.37) ADH1AADH1CMEN1KMT2AALDH1A1
SCHEMBL8916450 0.79 ADH1A (0.50) ADH1AADH1CMEN1KMT2ADRD3
SCHEMBL24951489 0.78 SLC6A2 (0.37) SLC6A2SLC6A4CHI3L1KCNH2
SCHEMBL16348742 0.78 ACHE (0.32) ADH1ASLC6A2SLC6A4CHI3L1CYP1A2

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
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed