SCHEMBL28612671

SCHEMBL28612671

CC(C)Sc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
CDC25B P30305 3/20 0.50
MAP2K7 O14733 2/20 0.50
CDC25A P30304 2/20 0.50
BCL2 P10415 4/20 0.49
MCL1 Q07820 4/20 0.49
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
PLA2G1B P04054 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47

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
SCHEMBL21751241 0.87 BCL2 (0.56) ELANECDC25BBCL2MCL1NPC1
SCHEMBL10898977 0.82 NPC1 (0.50) ELANECDC25BMAP2K7CDC25ABCL2
SCHEMBL21596188 0.82 MAOA (0.55) CDC25BMAP2K7CDC25ANPC1RAB9A
SCHEMBL11417173 0.81 BCL2 (0.46) ELANECDC25BMAP2K7CDC25ABCL2
SCHEMBL11294862 0.80 ELANE (0.55) ELANECDC25BMAP2K7CDC25ABCL2
SCHEMBL7905103 0.79 BCL2 (0.70) ELANECDC25BBCL2MCL1NPC1
SCHEMBL9811057 0.78 ELANE (0.53) ELANECDC25BMAP2K7CDC25ABCL2
SCHEMBL10522242 0.78 BCL2 (0.39) ELANECDC25BMAP2K7CDC25ABCL2
SCHEMBL27053610 0.76 NPC1 (0.56) CDC25BMAP2K7CDC25ABCL2MCL1
SCHEMBL26187149 0.76 NPC1 (0.55) ELANECDC25BMAP2K7CDC25ABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113308125-B Diluted asphalt modifier and preparation method thereof 北京建筑大学 2022-05-20 CN disclosed
CN-113416425-A Diluted asphalt and preparation method thereof 北京建筑大学 2021-09-21 CN disclosed
CN-113336476-A Diluted asphalt mixture and preparation method thereof 北京建筑大学 2021-09-03 CN disclosed
CN-113308125-A Diluted asphalt modifier and preparation method thereof 北京建筑大学 2021-08-27 CN disclosed