SCHEMBL3679381

SCHEMBL3679381

C=Cc1ccc(COCN(CC)CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CCR5 P51681 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 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
SCHEMBL6749405 0.89 LYPLA1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3668335 0.83 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3672391 0.83 MEN1 (0.47) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2231132 0.82 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL91630 0.80 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5066935 0.79 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL316823 0.77 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727195 0.77 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
Styrene SCHEMBL10623973 0.76 TSHR (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18868382 0.76 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298166-B1 RUBBER COMPOSITION JSR CORP (JP) 2007-02-21 EP claimed
US-6699935-B2 A CROSSLINKED RUBBER PARTICLES CONTAINING CONJUGATED DIENE MONOMER, AROMATIC VINYL MONOMER AND MONOMER WITH AT LEAST TWO POLYMERIZABLE UNSATURATED GROUPS DISPERSED IN A CONJUGATED DIENE/AROMATIC VINYL COPOLYMER; RESIST TO ROLLING, SKID, WEAR JSR CORPORATION (JP) 2004-03-02 US claimed
US-6653404-B2 Melt processability; dimensional stability JSR CORPORATION (JP) 2003-11-25 US claimed
US-20030125467-A1 A crosslinked rubber particles containing conjugated diene monomer, aromatic vinyl monomer and monomer with at least two polymerizable unsaturated groups dispersed in a conjugated diene/aromatic vinyl copolymer; resist to rolling, skid, wear JSR CORPORATION (JP) 2003-07-03 US claimed
EP-1298166-A1 RUBBER COMPOSITION JSR Corporation (JP) 2003-04-02 EP claimed
US-20010053813-A1 Rubber compositions JSR CORPORATION (JP) 2001-12-20 US claimed
EP-1152030-B1 Rubber mixtures based on crosslinked rubber particles and non-crosslinked rubbers JSR CORP (JP) 2012-12-12 EP disclosed
EP-1149867-B1 Crosslinked rubber particles and rubber compositions JSR CORP (JP) 2010-06-16 EP disclosed
US-7550536-B2 Acrylic rubber, process for its production, and rubber compositions, oil-and weather-resistant rubber compositions, and oil-and weather -resistant rubbers, containing the same JSR CORPORATION (JP) 2009-06-23 US disclosed
EP-1469018-B1 ACRYLIC RUBBER, PROCESS FOR ITS PRODUCTION, AND RUBBER COMPOSITIONS, OIL- AND WEATHER-RESISTANT RUBBER COMPOSITIONS, AND OIL- AND WEATHER-RESISTANT RUBBERS, CONTAINING THE SAME JSR CORP (JP) 2009-06-10 EP disclosed
US-20080081873-A1 Thermoplastic Elastomer Composition And Method For Producing Same JSR CORPORATION (JP) 2008-04-03 US disclosed
EP-1201368-B1 Polishing pad comprising a water-insoluble substance and method for producing thereof JSR CORP (JP) 2008-01-16 EP disclosed
EP-1535960-B1 Oil resistant and weather resistant rubber composition and molded product using the same JSR CORP (JP) 2007-10-24 EP disclosed
US-20020045691-A1 Conjugated diene-based rubber, oil extended rubber and rubber composition containing the same JSR CORPORATION (JP) 2002-04-18 US disclosed
EP-1184415-A2 Conjugated diene-based rubber, oil extended rubber and rubber composition containing the same JSR Corporation (JP) 2002-03-06 EP disclosed
US-20020007011-A1 Crosslinked rubber particles and rubber compositions JSR CORPORATION (JP) 2002-01-17 US disclosed
US-20010053813-A1 Rubber compositions JSR CORPORATION (JP) 2001-12-20 US disclosed
EP-1152030-A2 Rubber mixtures based on crosslinked rubber particles and non-crosslinked rubbers JSR Corporation (JP) 2001-11-07 EP disclosed
EP-1149866-A2 Rubber mixtures based on crosslinked rubber particles and non-crosslinked rubbers JSR Corporation (JP) 2001-10-31 EP disclosed
EP-1149867-A2 Crosslinked rubber particles and rubber compositions JSR Corporation (JP) 2001-10-31 EP disclosed