SCHEMBL3672602

SCHEMBL3672602

C=Cc1ccc(CCOCCN(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KCNH2 Q12809 1/20 0.37
USP2 O75604 1/20 0.36
LTA4H P09960 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL2402230 0.86 ALDH1A1 (0.50) ALDH1A1KCNH2CA12CA1CA9
SCHEMBL4757062 0.85 LYPLA1 (0.42) HRH3KDM4ETAAR1ALDH1A1KEAP1
SCHEMBL3672988 0.85 ALDH1A1 (0.38) HRH3TAAR1ALDH1A1KCNH2CA12
SCHEMBL188151 0.85 LYPLA1 (0.44) HRH3KDM4EALDH1A1KEAP1NFE2L2
SCHEMBL3669858 0.84 MEN1 (0.46) KDM4EALDH1A1KCNH2LTA4HCHRNB2
SCHEMBL213342 0.82 HRH3 (0.59) HRH3TAAR1ALDH1A1KCNH2CHRNA7
Water SCHEMBL31031309 0.80 HRH3 (0.57) HRH3TAAR1ALDH1A1KCNH2CHRNA7
Hydrochloric Acid SCHEMBL31234736 0.80 HRH3 (0.57) HRH3TAAR1ALDH1A1KCNH2CHRNA7
SCHEMBL1592709 0.79 ALDH1A1 (0.42) KDM4EALDH1A1KCNH2CA12CA1
SCHEMBL6811099 0.79 KCNH2 (0.49) HRH3TAAR1ALDH1A1KCNH2

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 38 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
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-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
EP-1816163-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR PRODUCING SAME JSR Corporation (JP) 2007-08-08 EP disclosed
EP-1298166-B1 RUBBER COMPOSITION JSR CORP (JP) 2007-02-21 EP disclosed
EP-1201368-A2 Composition for forming polishing pad, crosslinked body for polishing pad, polishing pad using the same and method for producing thereof JSR Corporation (JP) 2002-05-02 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