SCHEMBL4879384

SCHEMBL4879384

CC(O)c1[nH]c(-c2ccccc2)nc1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIN1 Q13526 5/20 0.38
POLB P06746 2/20 0.38
SMPD3 Q9NY59 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL23414335 0.85 SMPD3 (0.42) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL8764478 0.76 PIN1 (0.50) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL16848276 0.76 PIN1 (0.46) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL10727938 0.76 LTB4R (0.61) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL468691 0.75 LTB4R (0.47) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL4879388 0.73 LTB4R (0.45) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL16412171 0.72 KDM4E (0.42) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL11396560 0.72 LTB4R (0.44) LTB4RALDH1A1KDM4EHTTHSD17B10
SCHEMBL8973605 0.70 PIN1 (0.46) ALDH1A1KDM4EHPGDGAAPIN1
SCHEMBL6966937 0.70 LTB4R (0.39) LTB4RALDH1A1KDM4EHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656979-B1 For sealing a joint, a step, a bond portion, a seam portion, a crack portion or other portions of vehicles 3M INNOVATIVE PROPERTIES COMPANY 2003-12-02 US claimed
US-20080280127-A1 Heat-Curable Molding Material Pellet Having Multilayer Structure 3M INNOVATIVE PROPERTIES COMPANY 2008-11-13 US disclosed
EP-1718447-A1 HEAT-CURABLE MOLDING MATERIAL PELLET HAVING MULTILAYER STRUCTURE 3M Innovative Properties Company (US) 2006-11-08 EP disclosed
WO-2005087472-A1 HEAT-CURABLE MOLDING MATERIAL PELLET HAVING MULTILAYER STRUCTURE 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-22 WO disclosed
US-20050051381-A1 Underbody sound damping structure for motor vehicles 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
EP-1187888-B1 BONDED STRUCTURE 3M INNOVATIVE PROPERTIES CO (US) 2004-11-10 EP disclosed
EP-1453670-A1 UNDERBODY SOUND DAMPING STRUCTURE FOR MOTOR VEHICLES 3M Innovative Properties Company (US) 2004-09-08 EP disclosed
EP-1387873-A1 SEALANT COMPOSITION, SEALANT AND LAMINATED STRUCTURE CONTAINING SAME 3M Innovative Properties Company (US) 2004-02-11 EP disclosed
US-6656979-B1 For sealing a joint, a step, a bond portion, a seam portion, a crack portion or other portions of vehicles 3M INNOVATIVE PROPERTIES COMPANY 2003-12-02 US disclosed
WO-2003047851-A1 UNDERBODY SOUND DAMPING STRUCTURE FOR MOTOR VEHICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-12 WO disclosed
WO-2002090455-A1 SEALANT COMPOSITION, SEALANT AND LAMINATED STRUCTURE CONTAINING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-11-14 WO disclosed
EP-1187888-A1 ADHESIVE/SEALANT COMPOSITION AND BONDED STRUCTURE USING THE SAME 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000071632-A1 ADHESIVE/SEALANT COMPOSITION AND BONDED STRUCTURE USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-11-30 WO disclosed