SCHEMBL7937080

SCHEMBL7937080

CCC(=O)CC(=O)CC(=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HTT P42858 1/20 0.36
FFAR3 O14843 1/20 0.35
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15293626 1.00 TDP1 (0.50) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL8507807 1.00 TDP1 (0.50) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL8671776 0.94 ALDH1A1 (0.56) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL93362 0.94
Acetone SCHEMBL9742260 0.91 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL20481945 0.91
SCHEMBL11738652 0.91
SCHEMBL1618235 0.91 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL9354989 0.91 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL20478152 0.91

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-6291392-B2 Catalysts containing a platinum group metal and produced in a sol-gel method, as well as a method for producing diarylcarbonates BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed