SCHEMBL4021741

SCHEMBL4021741

CCc1ccc(CCC(=O)CC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.53
MMP12 P39900 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PLK1 P53350 1/20 0.44
POLB P06746 1/20 0.44
IAPP P10997 3/20 0.43
ALOX5 P09917 1/20 0.42
OR51E2 Q9H255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40

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
SCHEMBL28039008 0.86 IAPP (0.53) F2RL1MMP12ALDH1A1PLK1IAPP
SCHEMBL13577768 0.85 TDP1 (0.59) F2RL1MMP12ALDH1A1ALOX5OR51E2
SCHEMBL12354595 0.85 F2RL1 (0.53) F2RL1MMP12ALDH1A1POLBIAPP
SCHEMBL1645396 0.85 KDM4E (0.55) F2RL1MMP12ALDH1A1POLBALOX5
SCHEMBL11444235 0.84 ALDH1A1 (0.65) F2RL1ALDH1A1PLK1IAPPL3MBTL1
SCHEMBL12787142 0.83 F2RL1 (0.51) F2RL1MMP12ALDH1A1POLBIAPP
SCHEMBL2206622 0.82 ALDH1A1 (0.70) F2RL1MMP12ALDH1A1ALOX5TDP1
SCHEMBL13267781 0.82 IAPP (0.61) F2RL1MMP12ALDH1A1PLK1IAPP
SCHEMBL19520499 0.80 F2RL1 (0.83) F2RL1ALDH1A1POLBALOX5KDM4E
SCHEMBL12290429 0.79 CYP4F2 (0.58) F2RL1MMP12ALDH1A1ALOX5OR51E2

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
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed