SCHEMBL9733787

SCHEMBL9733787

Cc1c(C)c(CN2CCCN(Cc3c(C)c(C)c(O)c(C)c3C)C2)c(C)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.42
KDM4E B2RXH2 10/20 0.42
MPO P05164 1/20 0.42
ALDH1A1 P00352 8/20 0.38
GLA P06280 4/20 0.38
HPGD P15428 4/20 0.38
HIF1A Q16665 3/20 0.38
ERAP1 Q9NZ08 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 2/20 0.35
GFER P55789 1/20 0.35
STAT6 P42226 1/20 0.34
MAPT P10636 5/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
USP2 O75604 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
SCHEMBL9734077 0.90 GAA (0.41) GAAKDM4EMPOALDH1A1GLA
SCHEMBL10030555 0.78 GAA (0.44) GAAKDM4EMPOALDH1A1MEN1
SCHEMBL9734014 0.77 KDM4E (0.42) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9733707 0.73 KDM4E (0.43) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9735204 0.73 KDM4E (0.47) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9735881 0.73 KDM4E (0.47) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9734031 0.72 KDM4E (0.42) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9733848 0.71 HPGD (0.48) GAAKDM4EMPOALDH1A1GLA
SCHEMBL9734929 0.69 KDM4E (0.51) GAAKDM4EMPOALDH1A1MEN1
SCHEMBL10030554 0.68 GAA (0.47) GAAKDM4EALDH1A1GLAHPGD

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-5106975-A Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-04-21 US disclosed