SCHEMBL6015206

SCHEMBL6015206

C=Cc1ccc(/C=C/N(CC)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PAX8 Q06710 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6015207 1.00 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1CHRNB4CHRNA3
SCHEMBL10834525 0.79 NFE2L2 (0.48)
SCHEMBL11171879 0.78 NPC1 (0.48) TDP1NPC1L3MBTL1
SCHEMBL136178 0.78 NPC1 (0.48) TDP1NPC1L3MBTL1
SCHEMBL27707174 0.78 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL6015208 0.76 ALDH1A1 (0.52) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6015209 0.76 ALDH1A1 (0.52) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL2360751 0.74 APP (0.38) ALDH1A1TSHRTDP1L3MBTL1KCNH2
SCHEMBL9915854 0.73 ALDH1A1 (0.59) ALDH1A1TSHRMEN1LMNAMAPT
Butane SCHEMBL28268770 0.71 ALDH1A1 (0.69) ALDH1A1TAS1R3TAS1R1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091274-B2 A butadiene-styrene copolymer having end terminals modified with a tin compound and amino compound; molecular weight distribution, tire rolling resistance, hysteresis-free, wear resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-08-15 US disclosed
EP-1318172-B1 Pneumatic tire having a rubber component containing a tin/amino functionalized rubber and an inversion carbon black GOODYEAR TIRE & RUBBER (US) 2006-06-14 EP disclosed
EP-0924227-B1 Conjugated diolefin-based copolymer rubber and composition thereof JSR CORP (JP) 2004-03-10 EP disclosed
US-20030125448-A1 A butadiene-styrene copolymer having end terminals modified with a tin compound and amino compound; molecular weight distribution, tire rolling resistance, hysteresis-free, wear resistance GOODYEAR TIRE & RUBBER COMPANY, THE 2003-07-03 US disclosed
EP-1318172-A1 Pneumatic tire having a rubber component containing a tin/amino functionalized rubber and an inversion carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 2003-06-11 EP disclosed
US-6191234-B1 CONJUGATED DIENE-AROMATIC VINYL COPOLYMER OBTAINED BY MODIFYING POLYMER WITH A AMINO GROUP IS USED TO IMPROVE WET SKID RESISTANCE, WEAR RESISTANCE OF AUTOMOBILE TIRE TREAD JSR CORPORATION (JP) 2001-02-20 US disclosed
EP-0924227-A1 Conjugated diolefin-based copolymer rubber and composition thereof JSR Corporation (JP) 1999-06-23 EP disclosed