SCHEMBL9851793

SCHEMBL9851793

CCCCCOC[C@@H]1C[C@@H](OCCCCC)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
STING1 Q86WV6 1/20 0.34
LMNA P02545 2/20 0.34
ALB P02768 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 1/20 0.32
HPRT1 P00492 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE9A O76083 2/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 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
SCHEMBL9851820 0.91 ALDH1A1 (0.39) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851855 0.90 NT5E (0.37) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851821 0.83 ALDH1A1 (0.37) ALDH1A1STING1LMNAHTTMAPT
SCHEMBL9851795 0.80 PRKCA (0.37)
SCHEMBL9851764 0.79 PRKCA (0.42) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851863 0.76 LPAR1 (0.36) ALDH1A1STING1
SCHEMBL9851837 0.74 ALDH1A1 (0.35) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851876 0.71 NT5E (0.40) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851714 0.71 ALDH1A1 (0.43) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851715 0.69 ATG7 (0.44)

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP claimed
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed