SCHEMBL28638666

SCHEMBL28638666

CC1(O)C=CC=CC1CC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 3/20 0.41
GSK3B P49841 2/20 0.41
TRPA1 O75762 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL10448957 0.86 MAPT (0.40) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL10706424 0.80 CYP1A2 (0.33) CYP2C19CYP2D6CYP2C9
SCHEMBL501891 0.79 POLB (0.39) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL183220 0.78 KMT2A (0.39) ALDH1A1MAPK1GSK3BTRPA1HIF1A
SCHEMBL28667819 0.76 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL29130609 0.76
SCHEMBL28014454 0.73 NPC1 (0.42) ALDH1A1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL28774345 0.72 TDP1 (0.31) TDP1
Benzoic Acid SCHEMBL27563924 0.72 TSHR (0.45) ALDH1A1TRPA1MAPTKMT2AHPGD
SCHEMBL30232911 0.70 FUCA1 (0.38) MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108369376-B Photosensitive resin composition, cured film, laminate, member for touch panel, and method for producing cured film 东丽株式会社 2022-05-03 CN disclosed
CN-113414081-B Coating composition of colorful material, colorful material and preparation method of colorful material 苏州奥美材料科技有限公司 2021-12-03 CN disclosed
CN-113414081-A Coating composition of colorful material, colorful material and preparation method of colorful material 苏州奥美材料科技有限公司 2021-09-21 CN disclosed