SCHEMBL9733983

SCHEMBL9733983

CC(C)c1cc(CN2CCCN(Cc3cc(C(C)C)c(O)c(C(C)C)c3)C2)cc(C(C)C)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 4/20 0.47
GSR P00390 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GABRA1 P14867 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRB2 P47870 2/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA4 P48169 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
SCHEMBL9734442 0.91 MAPT (0.55) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL5573539 0.90 MAPT (0.73) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL5573492 0.88 MAPT (0.71) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9733841 0.88 MAPT (0.52) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9416948 0.86 MAPT (0.78) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9416988 0.80 MAPT (0.69) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9736352 0.79 MAPK1 (0.44) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL7307532 0.79 MAPT (0.68) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9416936 0.79 MAPT (1.00) MAPTMAPK1MEN1KMT2AGSR
SCHEMBL9734778 0.78 MAPK1 (0.49) MAPTMAPK1MEN1KMT2AKDM4E

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