SCHEMBL28045819

SCHEMBL28045819

COc1cc(O)c2c(c1OC)OC(O)(c1ccccc1)CC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
CYP19A1 P11511 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.40
PLK1 P53350 1/20 0.40
BACE1 P56817 1/20 0.40
MGAM O43451 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MITF O75030 1/20 0.38
NR2F2 P24468 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL27926524 0.90 RIPK1 (0.53) RIPK1CYP19A1MEN1KMT2AMAPT
SCHEMBL27661012 0.89 RIPK1 (0.52) RIPK1CYP19A1MEN1KMT2AMAPT
SCHEMBL28796148 0.85 CYP19A1 (0.42) RIPK1CYP19A1MEN1KMT2AMAPT
SCHEMBL27957133 0.83 RIPK1 (0.45) RIPK1CYP19A1MEN1KMT2AMAPT
SCHEMBL27767398 0.83 RIPK1 (0.45) RIPK1MEN1KMT2AMAPTGAA
SCHEMBL27957100 0.83 RIPK1 (0.45) RIPK1MEN1KMT2AMAPTGAA
SCHEMBL29500460 0.82 RIPK1 (0.53) RIPK1MEN1KMT2AMAPTGAA
SCHEMBL27681022 0.81 RIPK1 (0.46) RIPK1MEN1KMT2AMAPTGAA
SCHEMBL28500347 0.79 RIPK1 (0.47) RIPK1CYP19A1MEN1KMT2AMAPT
SCHEMBL663481 0.79 RIPK1 (0.44) RIPK1CYP19A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068491-A Medical application of andrographolide as LTB4 receptor inhibitor 中国医学科学院药物研究所 2022-09-20 CN disclosed
CN-115068467-A Medical application of andrographolide as LTB4 receptor inhibitor 中国医学科学院药物研究所 2022-09-20 CN disclosed
CN-105311335-A Traditional Chinese medicine composition for assisting tumor chemoradiotherapy LU ZHONGXIN 2016-02-10 CN disclosed
CN-101342254-A Combination of traditional Chinese medicine extract for preventing and treating atherosis, hyperlipemia, and preparation thereof TRADITIONAL CHINESE MEDICINE I (CN) 2009-01-14 CN disclosed
CN-101342237-A Traditional Chinese medicine extract combination for preventing and treating atherosis and preparation thereof TRADITIONAL CHINESE MEDICINE I (CN) 2009-01-14 CN disclosed