SCHEMBL27915693

SCHEMBL27915693

Cc1ccc(OC(=O)C(O)C(O)C(=O)Oc2ccccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.40
ELANE P08246 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTK2B Q14289 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 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
SCHEMBL30605965 0.88 TDP1 (0.49) L3MBTL1ATMTDP1ALDH1A1ADRB2
SCHEMBL17502798 0.88 TDP1 (0.49) L3MBTL1ATMTDP1ALDH1A1ADRB2
SCHEMBL3939804 0.88 TDP1 (0.49) L3MBTL1ATMTDP1ALDH1A1ADRB2
SCHEMBL1561410 0.85 LMNA (0.59) L3MBTL1ATMLMNAALDH1A1KMT2A
SCHEMBL13517717 0.85 LMNA (0.59) L3MBTL1ATMLMNAALDH1A1KMT2A
SCHEMBL2425021 0.85 LMNA (0.59) L3MBTL1ATMLMNAALDH1A1KMT2A
SCHEMBL3632860 0.82 TDP1 (0.44) L3MBTL1ATMTDP1ALDH1A1ADRB2
Methyl Alcohol SCHEMBL27966192 0.81 ADRB2 (0.43) L3MBTL1ATMTDP1ALDH1A1ADRB2
Water SCHEMBL27298765 0.81 L3MBTL1 (0.43) L3MBTL1ATMTDP1ALDH1A1ADRB2
SCHEMBL27919456 0.80 LMNA (0.50) L3MBTL1ATMTDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103974713-B Antimicrobial peptides for the treatment of infectious diseases 罗兰·拜赖茨 2016-06-08 CN disclosed
CN-105579455-A Fluor-9-methyl-[beta]-carbolines AUDIOCURE PHARMA GMBH 2016-05-11 CN disclosed
CN-103562184-B pharmaceutically active disubstituted pyridine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2016-04-27 CN disclosed
CN-103038195-B Device and method for solubilizing, separating, removing and reacting carboxylic acids in oils, fats, aqueous or organic solutions by micro-or nanoemulsification ULRICH DIETZ (DE) 2016-04-13 CN disclosed
CN-102964347-B 8-[3-amino-piperadine-1-base]-Xanthine compounds, its preparation method and the purposes as pharmaceutical preparation BOEHRINGER INGELHEIM PHARMACEUTICAL CO., LTD. (DE) 2015-11-18 CN disclosed
CN-105001222-A New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation BOEHRINGER INGELHEIM PHARMA 2015-10-28 CN disclosed
CN-104350054-A Pyrazolo - triazine derivatives as selective cyclin- dependent kinase inhinitors LEAD DISCOVERY CENTER GMBH 2015-02-11 CN disclosed
CN-103562184-A Pharmaceutically active disubstituted pyridine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-05 CN disclosed
CN-103038195-A Device and method for solubilizing, separating, removing and reacting carboxylic acids in oils, fats, aqueous or organic solutions by micro-or nanoemulsification DIETZ ULRICH 2013-04-10 CN disclosed