SCHEMBL4879388

SCHEMBL4879388

OCCc1[nH]c(-c2ccccc2)nc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
BRAF P15056 2/20 0.39
PIN1 Q13526 6/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL468691 0.87 LTB4R (0.47) LTB4RBRAFPIN1GAACYP1A2
SCHEMBL10727938 0.85 LTB4R (0.61) LTB4RPIN1GAACYP1A2CYP2C19
SCHEMBL16412171 0.81 KDM4E (0.42) LTB4RBRAFPIN1GAAKDM4E
SCHEMBL28360708 0.81 LTB4R (0.42) LTB4RPIN1GAACYP1A2CYP2C19
SCHEMBL6618281 0.81 PDE5A (0.41) PIN1CYP1A2KDM4EHSD17B10CYP3A4
SCHEMBL11396560 0.80 LTB4R (0.44) LTB4RPIN1GAACYP1A2CYP2C19
SCHEMBL27854971 0.78 KDM4E (0.42) TDP1BRAFPIN1GAACYP1A2
SCHEMBL16848277 0.78 KDM4E (0.47) PIN1GAACYP1A2CYP2C19KDM4E
SCHEMBL8764478 0.76 PIN1 (0.50) LTB4RPIN1GAACYP1A2CYP2C19
SCHEMBL33656 0.75 GAA (0.43) BRAFPIN1GAACYP1A2CYP2C19

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 15 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
CN-1946528-A Heat-curable molding material pellet having multilayer structure 3M INNOVATIVE PROPERTIES CO (US) 2007-04-11 CN 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
CN-1599663-A Underbody sound damping structure for motor vehicles 3M INNOVATIVE PROPERTIES CO (US) 2005-03-23 CN 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