SCHEMBL30202128

SCHEMBL30202128

COc1cc(OC)c(OC)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PRKDC P78527 1/20 0.54
HTR2A P28223 7/20 0.54
TAAR1 Q96RJ0 3/20 0.54
HTR2C P28335 2/20 0.54
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50

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
SCHEMBL580565 1.00 POLB (0.54) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL298224 0.94 POLB (0.59) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL1104878 0.91 GRIN2D (0.52) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL13517864 0.89 L3MBTL1 (0.50) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL28799442 0.88 POLB (0.61) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL29878552 0.88 POLB (0.67) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL369991 0.88 POLB (0.67) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL5050153 0.86 POLB (0.52) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL27143368 0.86 POLB (0.52) POLBL3MBTL1PRKDCHTR2ATAAR1
SCHEMBL21757392 0.84 LMNA (0.52) HTR2ATAAR1HTR2CMAPT

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-113387804-B Synthesis method of alpha-asarone acetate and alpha-octanol 西安石油大学 2023-05-02 CN claimed
CN-113692403-B Compounds having excited state intramolecular proton transfer (esit) properties for use in the treatment and/or prevention of sunburn and/or prevention of u.v. damage 约翰内斯堡威特沃特斯兰德大学 2024-11-22 CN disclosed
CN-116836148-A Method for co-production of organic bromide and hydrogen through photocatalysis 中国科学院大连化学物理研究所 2023-10-03 CN disclosed
CN-113387804-B Synthesis method of alpha-asarone acetate and alpha-octanol 西安石油大学 2023-05-02 CN disclosed
CN-115636840-A Binuclear gold (I) compounds for photocatalytic applications 港大科桥有限公司 2023-01-24 CN disclosed