SCHEMBL9734968

SCHEMBL9734968

COc1cc(O)cc(CN2CCCN(Cc3cc(O)cc(OC)c3O)C2)c1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
KDM4E B2RXH2 3/20 0.51
ALOX5 P09917 4/20 0.48
PTGS2 P35354 3/20 0.47
MPO P05164 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9733548 0.87 GAA (0.50) GAAKDM4EMPOMAPTMEN1
SCHEMBL9733717 0.80 GAA (0.50) GAAKDM4EALOX5MEN1KMT2A
SCHEMBL9734162 0.80 GAA (0.79) GAAKDM4EMAPTMAPK1
SCHEMBL9734499 0.77 GAA (0.69) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL9734550 0.77 KDM4E (0.53) GAAKDM4EMPOMEN1KMT2A
SCHEMBL9735255 0.76 KDM4E (0.47) GAAKDM4EMPOMAPTLMNA
SCHEMBL29274523 0.75 GAA (0.66) GAAKDM4EMEN1KMT2A
SCHEMBL29274529 0.74 GAA (0.68) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL13572662 0.74 MEN1 (0.53) GAAKDM4EMEN1KMT2A
SCHEMBL3100738 0.72 GAA (0.56) GAAKDM4EMAPTMEN1KMT2A

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
US-5106975-A Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-04-21 US disclosed
EP-0434185-A2 Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-26 EP disclosed