SCHEMBL7527264

SCHEMBL7527264

C=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL12726829 0.80 KMT2A (0.41) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL1109757 0.80 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL7705519 0.78 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL2848308 0.75 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL15489097 0.74 ALDH1A1 (0.42) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL2722808 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL918995 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL918994 0.73 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL16485118 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMAPTTAS1R3
SCHEMBL28138660 0.72 TAS1R3 (0.34) RAPGEF4ALDH1A1KDM4ELMNAMAPT

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-1180108-A2 IMIDAZOLIDINE-BASED METAL CARBENE METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-02-20 EP disclosed
WO-2000071554-A2 IMIDAZOLIDINE-BASED METAL CARBENE METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-11-30 WO disclosed