SCHEMBL17857263

SCHEMBL17857263

CCN(COC)c1nc(N(CCO)CCO)nc(N(COC)COC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 16/20 0.54
PRUNE1 Q86TP1 2/20 0.37
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PDE2A O00408 1/20 0.35
RGS12 O14924 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCC5 O15440 1/20 0.35
PDE6D O43924 1/20 0.35
PDE8A O60658 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
PDE5A O76074 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11986991 0.93 SLC29A1 (0.48) SLC29A1PRUNE1TSHRTDP1KDM4E
SCHEMBL436650 0.91 SLC29A1 (0.47) SLC29A1PRUNE1TSHRTDP1KDM4E
SCHEMBL3223591 0.89 SLC29A1 (0.44) SLC29A1PRUNE1TSHRTDP1KDM4E
SCHEMBL6124092 0.89 SLC29A1 (0.44) SLC29A1PRUNE1TSHRTDP1KDM4E
SCHEMBL16638206 0.87 TDP1 (0.43) SLC29A1TSHRTDP1KDM4EUSP2
SCHEMBL13202805 0.87 TDP1 (0.43) SLC29A1TSHRTDP1KDM4EUSP2
SCHEMBL16284299 0.85 TDP1 (0.47) SLC29A1TSHRTDP1KDM4EMEN1
SCHEMBL2693585 0.84 TDP1 (0.45) SLC29A1TSHRTDP1KDM4EUSP2
SCHEMBL16844937 0.82 TDP1 (0.48) SLC29A1TSHRTDP1KDM4EMEN1
SCHEMBL13006380 0.82 TDP1 (0.48) SLC29A1TSHRTDP1KDM4EMEN1

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-20160177128-A1 ALL-ORGANIC HIGH REFRACTIVE INDEX MATERIALS BREWER SCIENCE INC. 2016-06-23 US disclosed