SCHEMBL6514700

SCHEMBL6514700

CCCC(C)(CC)C(=O)OCC(C)O.CCCCN(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
KDM5A P29375 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
SCHEMBL6522740 0.93 MAPT (0.44) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL6516035 0.86 MAPT (0.43) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL5068175 0.84 MAPT (0.44) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL4203122 0.84 MAPT (0.46) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL6521813 0.82 MAPT (0.45) MAPTLMNAKDM5A
SCHEMBL6523653 0.80 MAPT (0.46) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL6519687 0.79 MAPT (0.49) MAPTLMNAKDM5A
SCHEMBL6523647 0.78 MAPT (0.51) MAPTLMNAKDM5A
SCHEMBL17325958 0.78 CYP3A4 (0.41) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL12460140 0.77 CA2 (0.38) MAPTLMNACYP3A4CA1

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-1516722-B1 ACRYLIC RESIN COMPOSITION, ORGANOSILOXANE RESIN COMPOSITION AND LAMINATES MADE BY USING THEM TEIJIN CHEMICALS LTD (JP) 2015-09-02 EP disclosed
EP-1516722-A1 ACRYLIC RESIN COMPOSITION, ORGANOSILOXANE RESIN COMPOSITION AND LAMINATES MADE BY USING THEM Teijin Chemicals, Ltd. (JP) 2005-03-23 EP disclosed