SCHEMBL18666285

SCHEMBL18666285

COCCCCNC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)COCCC(=O)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A5 Q9Y345 2/20 0.36
MAPT P10636 1/20 0.34
KDM4A O75164 1/20 0.34
HIF1A Q16665 1/20 0.34
TET2 Q6N021 1/20 0.34
DOHH Q9BU89 1/20 0.34
CYP2C19 P33261 1/20 0.34
PAOX Q6QHF9 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP2 P42575 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL18736144 0.81 TSHR (0.40) TSHRKDM4ELMNASLC6A5KDM4A
SCHEMBL21155013 0.79 TSHR (0.70) TSHRKDM4ELMNAMEN1HPGD
SCHEMBL14978144 0.78 TSHR (0.42) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL22112002 0.78 SLC6A5 (0.37) TSHRSLC6A5KDM4AHIF1ATET2
SCHEMBL23723856 0.77 TSHR (0.36) TSHRKDM4ELMNASLC6A5KDM4A
SCHEMBL13785356 0.76 TSHR (0.40) TSHRKDM4ELMNASLC6A5KDM4A
SCHEMBL19509699 0.76 TSHR (0.37) TSHRKDM4ELMNASLC6A5KDM4A
SCHEMBL21286080 0.76 TSHR (0.41) TSHRKDM4ELMNAMEN1HPGD
SCHEMBL15592334 0.75 RECQL (0.41) TSHRHPGDSLC6A5KDM4AHIF1A
SCHEMBL16392928 0.74 TSHR (0.41) TSHRKDM4ELMNAMEN1HPGD

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-2017048843-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF THE ALAS1 GENE ALNYLAM PHARMACEUTICALS, INC. (US) 2017-03-23 WO disclosed