SCHEMBL28891111

SCHEMBL28891111

CNc1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
PKM P14618 2/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HIF1A Q16665 6/20 0.34
EPAS1 Q99814 6/20 0.34
TDP1 Q9NUW8 2/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LMNA P02545 2/20 0.33
HTR2A P28223 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRIM24 O15164 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL26739624 0.81
SCHEMBL12035985 0.76 MAPT (0.41) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL8104414 0.76 MAPT (0.41) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL14930304 0.75 HTR2A (0.45) MAPTHIF1AEPAS1HTR2AGAA
SCHEMBL5546004 0.74 MAPT (0.44) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL15724661 0.74 AKR1B1 (0.46) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL10573500 0.74 HTR2A (0.40) MAPTPKMALDH1A1KDM4EHIF1A
SCHEMBL5546007 0.74 MAPT (0.60) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL3047236 0.74 AKT1 (0.44) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL5269029 0.74 MAPT (0.40) MAPTALDH1A1KDM4EHIF1AEPAS1

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-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed