SCHEMBL7162109

SCHEMBL7162109

C=CCB(CC=C)c1cccc(C)c1CC=C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL7168095 0.80 GABRA1 (0.35) GAAKDM4EALDH1A1GABRA1GABRB2
SCHEMBL1235826 0.79 MAPT (0.44) MAPTGAAKDM4EALDH1A1GABRA1
SCHEMBL7165311 0.79 ALDH1A1 (0.43) MAPTGAAKDM4EALDH1A1GABRA1
SCHEMBL7165192 0.76 ALDH1A1 (0.34) MAPTGAAKDM4EALDH1A1GABRA1
SCHEMBL7158369 0.76 TP53 (0.33) GAA
SCHEMBL1158926 0.75 LIPG (0.40) GABRA1GABRB2
SCHEMBL1159080 0.73 CYP1A2 (0.39) GAAKDM4EALDH1A1
SCHEMBL1159409 0.73 TDP1 (0.37) MAPTALDH1A1
SCHEMBL9003490 0.72 GABRA1 (0.47) MAPTGAAKDM4EALDH1A1GABRA1
SCHEMBL1158609 0.71 MCHR1 (0.38) MAPTKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811368-B1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORP (JP) 2003-07-23 EP disclosed
US-5866631-A POLYMERIZABLE MONOMER CONTAINING AN ACIDIC GROUP, WATER, ARYL BORATE AND TRANSITION METAL COMPOUND. TOKUYAMA CORPORATION (JP) 1999-02-02 US disclosed
EP-0811368-A1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORPORATION (JP) 1997-12-10 EP disclosed