SCHEMBL528223

SCHEMBL528223

CO[Si](CC(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
CA4 P22748 1/20 0.31
TAAR1 Q96RJ0 4/20 0.30
SLC6A2 P23975 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL671215 0.73 TAAR1 (0.34) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL689760 0.69 LTA4H (0.37) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL15557611 0.67 RIPK1 (0.34) ALDH1A1HSD17B10TAAR1SLC6A2MAOA
SCHEMBL2989193 0.64 CA4 (0.41) ALDH1A1TSHRALOX12MAPK1LMNA
SCHEMBL991780 0.64 CA4 (0.41) ALDH1A1TSHRALOX12MAPK1LMNA
SCHEMBL1658642 0.64 CA4 (0.41) ALDH1A1TSHRALOX12MAPK1LMNA
SCHEMBL15094042 0.64 ALDH1A1 (0.38) ALDH1A1TSHRALOX12LMNATAAR1
Hydrochloric Acid SCHEMBL27679630 0.62 CA4 (0.39) ALDH1A1TSHRALOX12MAPK1LMNA
Fluoride SCHEMBL28075272 0.62 CA4 (0.39) ALDH1A1TSHRALOX12MAPK1LMNA
SCHEMBL38659095 0.61 ALDH1A1 (0.36) ALDH1A1TSHRALOX12LMNAMAOA

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 340 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041838-A1 DIASTEREOSELECTIVE METHODS FOR SYNTHESIZING ISOXAZOLE COMPOUNDS AbbVie Inc. (US) 2016-07-13 EP claimed
WO-2015034866-A1 DIASTEREOSELECTIVE METHODS FOR SYNTHESIZING ISOXAZOLE COMPOUNDS ABBVIE INC. (US) 2015-03-12 WO claimed
WO-2013102793-A2 A NOVEL PROCESS FOR THE PREPARATION OF REBAUDIOSIDE D AND OTHER RELATED NATURALLY OCCURRING SWEETENERS SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-07-11 WO claimed
EP-3688021-A1 USE OF METFORMIN AND ANALOGS THEREOF TO REDUCE RAN PROTEIN LEVELS IN THE TREATMENT OF NEUROLOGICAL DISORDERS University of Florida Research Foundation, Incorporated (US) 2020-08-05 EP disclosed
EP-3664799-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF President And Fellows Of Harvard College (US) 2020-06-17 EP disclosed
EP-3661898-A1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS Studiengesellschaft Kohle MbH (DE) 2020-06-10 EP disclosed
EP-3548638-A1 METHODS OF TREATING CANCER GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 EP disclosed
EP-3548069-A1 COMBINATION THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 EP disclosed
EP-3548068-A1 COMBINATION THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 EP disclosed
EP-3544971-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP disclosed
EP-3544970-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP disclosed
WO-2008144507-A2 SPIROOXINDOLE INHIBITORS OF AURORA KINASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-11-27 WO disclosed
WO-2008127361-A2 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-23 WO disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 WO disclosed
WO-2008122038-A1 REGULATING AUTOPHAGY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-09 WO disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
EP-1778702-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-05-02 EP disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO disclosed
EP-1015417-A1 COMPOUNDS CONTAINING SIX-MEMBERED RINGS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GILEAD SCIENCES, INC. (US) 2000-07-05 EP disclosed
WO-1999014185-A1 COMPOUNDS CONTAINING SIX-MEMBERED RINGS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GILEAD SCIENCES, INC. (US) 1999-03-25 WO disclosed