SCHEMBL4426628

SCHEMBL4426628

CO[Si](CCCc1cccc(N)c1CCC[Si](OC)(OC)OC)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RCE1 Q9Y256 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS1 P29475 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
SCHEMBL8736802 0.90 CYP3A4 (0.37) ALDH1A1ADRA2BPTGS1TDP1CYP3A4
SCHEMBL1639192 0.88 PTGS2 (0.38) ALOX5PTGS2MTNR1AMTNR1BTAAR1
SCHEMBL16198395 0.85 ALDH1A1 (0.39) ALOX5PTGS2ALDH1A1ADRA2BPTGS1
SCHEMBL4424548 0.84 ALDH1A1 (0.32) PTGS2ALDH1A1CYP3A4TSHRPIK3CA
SCHEMBL1639308 0.79 MTNR1A (0.40) ALOX5PTGS2MTNR1AMTNR1BTAAR1
SCHEMBL2488880 0.78 ALDH1A1 (0.42) ALDH1A1ADRA2BPTGS1TDP1CYP3A4
SCHEMBL140512 0.75 SKP2 (0.43) ALOX5PTGS2CYP3A4TSHRPIK3CA
SCHEMBL27984525 0.74 LIPG (0.46) ALOX5PTGS2PPARA
SCHEMBL1952602 0.73 TLR8 (0.39) CYP3A4TSHRPIK3CATAAR1
SCHEMBL7924337 0.73 ALOX5 (0.33) ALOX5PTGS2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001098393-A1 COATING COMPOSITIONS HAVING IMPROVED ADHESION TO ALUMINUM SUBSTRATES BASF CORPORATION (US) 2001-12-27 WO claimed
US-10072138-B2 Rubber composition for use in tire treads THE YOKOHAMA RUBBER CO., LTD (JP) 2018-09-11 US disclosed
US-9567451-B2 Rubber composition for use in tire treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-02-14 US disclosed
US-9493638-B2 Rubber composition for tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-11-15 US disclosed
US-9475924-B2 Rubber composition for tire tread and pneumatic tire using the same THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-10-25 US disclosed
US-9416252-B2 Rubber composition for tire tread THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-08-16 US disclosed
US-9139721-B2 Rubber composition for tire treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-09-22 US disclosed
US-20150126643-A1 Rubber Composition for Tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-05-07 US disclosed
US-20150031791-A1 Rubber Composition for Tire Treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-01-29 US disclosed
US-20130338255-A1 RUBBER COMPOSITION FOR TIRE TREAD THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-12-19 US disclosed
US-20130324638-A1 RUBBER COMPOSITION FOR USE IN TIRE TREADS THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-12-05 US disclosed
EP-2665763-A1 TEMPERATURE CONTROLLED SOL-GEL CO-CONDENSATION Novan, Inc. (US) 2013-11-27 EP disclosed
US-20130267646-A1 RUBBER COMPOSITION FOR TIRE TREAD AND PNEUMATIC TIRE USING THE SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-10-10 US disclosed
EP-2003146-B1 USE OF A CONJUGATED DIENE RUBBER FOR A TIRE ZEON CORP (JP) 2012-12-26 EP disclosed
WO-2012100174-A1 TEMPERATURE CONTROLLED SOL-GEL CO-CONDENSATION NOVAN, INC. (US) 2012-07-26 WO disclosed
EP-2003146-A9 CONJUGATED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION FOR TIRE, AND TIRE ZEON CORPORATION (JP) 2009-05-06 EP disclosed
EP-2003146-A2 CONJUGATED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION FOR TIRE, AND TIRE ZEON CORPORATION (JP) 2008-12-17 EP disclosed