SCHEMBL9577628

SCHEMBL9577628

CC(=O)C=C(C)C.CC(=O)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HTT P42858 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL27958964 0.85 ALDH1A1 (0.33) GAAMGAMSIMGAM2HTT
SCHEMBL1422350 0.84 ALDH1A1 (0.44) GAAHTTALDH1A1TDP1KDM4E
SCHEMBL36528 0.84
SCHEMBL11357472 0.82 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ETRPA1ATM
Butanone SCHEMBL3917045 0.82 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ETRPA1TSHR
SCHEMBL11450692 0.82 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ETRPA1ATM
Acetone SCHEMBL9445711 0.81 LMNA (0.46) GAAHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL10400342 0.81
SCHEMBL28488745 0.81
Acetone SCHEMBL27988781 0.81 LMNA (0.46) GAAHTTALDH1A1SMN1; SMN2NPC1

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-5229429-A Polyoxyalkylene glycol as carbon dioxide absorber BASF AKTIENGESELLSCHAFT (DE) 1993-07-20 US disclosed