SCHEMBL8096669

SCHEMBL8096669

C=COCC1CCC(COC(=O)C(CCC(=O)O)CC2CCC(COC=C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
FOLH1 Q04609 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
SCHEMBL2542786 0.89 FOLH1 (0.39) FOLH1
SCHEMBL28507704 0.80 LMNA (0.49) LMNASLC6A2SLC6A4BLMSLC6A3
SCHEMBL3821626 0.74 LMNA (0.51) LMNATSHRMAPT
SCHEMBL2526794 0.73 LMNA (0.51) LMNA
SCHEMBL17298631 0.71 SLC1A3 (0.34) LMNA
SCHEMBL2523203 0.70 LMNA (0.45) LMNATSHR
SCHEMBL217791 0.70 LMNA (0.45) LMNATSHR
SCHEMBL10005855 0.70 MAPT (0.37) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4066822 0.70 JAK2 (0.33) LMNA
SCHEMBL9180809 0.70 LMNA (0.33) LMNAMAPT

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-6162881-A Initiators for cationic polymerization SIEMENS AKTIEGESELLSCHAFT (DE) 2000-12-19 US disclosed