SCHEMBL3833757

SCHEMBL3833757

CCCCCCCCCc1cccnc1-c1ncccc1CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 2/20 0.46
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALOX5 P09917 2/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL8720799 1.00 LIPG (0.50) LIPGTDP1L3MBTL1KCNH2BID
SCHEMBL5138399 0.89 LIPG (0.41) LIPGTDP1L3MBTL1KCNH2BID
SCHEMBL2955779 0.88 GPR84 (0.49) LIPGTDP1L3MBTL1BIDMCL1
SCHEMBL27157141 0.88 TLR8 (0.41) LIPGTDP1L3MBTL1KCNH2BID
SCHEMBL28062636 0.88 GPR84 (0.49) LIPGTDP1L3MBTL1BIDMCL1
SCHEMBL7207311 0.87 LIPG (0.46) LIPG
SCHEMBL5138400 0.87 LIPG (0.46) LIPG
SCHEMBL7741609 0.87 LIPG (0.46) LIPG
SCHEMBL2410544 0.87 LIPG (0.46) LIPG
SCHEMBL4475658 0.87 LIPG (0.46) LIPG

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
EP-1499672-B1 METHOD FOR ATTACHMENT OF ONE OR MORE ORGANIC GROUPS ONTO A PARTICLE CABOT CORP (US) 2009-09-30 EP claimed
EP-3029098-B1 RUBBER COMPOSITION FOR TIRES, AND PNEUMATIC TIRE MANUFACTURED USING SAME YOKOHAMA RUBBER CO LTD (JP) 2018-01-31 EP disclosed
US-9598563-B2 Rubber composition for tires, and pneumatic tire manufactured using same THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-03-21 US disclosed
US-20160200903-A1 Rubber Composition for Tires, And Pneumatic Tire Manufactured Using Same THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-07-14 US disclosed
EP-3029098-A1 RUBBER COMPOSITION FOR TIRES, AND PNEUMATIC TIRE MANUFACTURED USING SAME The Yokohama Rubber Company, Limited (JP) 2016-06-08 EP disclosed
US-6437044-B1 Living radical graft copolymerization of vinyl monomers initiated from the structural defects of polyvinylchloride UNIVERSITY OF PENNSYLVANIA 2002-08-20 US disclosed
WO-2002059171-A2 LIVING RADICAL GRAFT COPOLYMERIZATION OF VINYL MONOMERS INITIATED FROM THE STRUCTURAL DEFECTS OF POLYVINYLCHLORIDE THE UNIVERSITY OF PENNSYLVANIA (US) 2002-08-01 WO disclosed