SCHEMBL6749405

SCHEMBL6749405

C=Cc1ccc(COCCN(C)C)cc1.C=Cc1ccc(COCN(CC)CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.37
LYPLA2 O95372 1/20 0.37
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PPARG P37231 1/20 0.32
KCNH2 Q12809 2/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL188151 0.89 LYPLA1 (0.44) LYPLA1LYPLA2KDM4ECHRNB2CHRNB4
SCHEMBL3679381 0.89 ALDH1A1 (0.38) MEN1POLBKMT2ACHRNB2CHRNB4
SCHEMBL3672391 0.86 MEN1 (0.47) MEN1POLBKMT2ACHRNB2CHRNB4
SCHEMBL4757062 0.86 LYPLA1 (0.42) LYPLA1LYPLA2MEN1KMT2AKDM4E
SCHEMBL12860112 0.79 ALDH1A1 (0.41) LYPLA1LYPLA2MEN1POLBKMT2A
SCHEMBL2231132 0.79 ALDH1A1 (0.41) LYPLA1LYPLA2MEN1KMT2ACHRNB2
SCHEMBL3668335 0.77 CHRNB2 (0.36) MEN1POLBKMT2ACHRNB2CHRNB4
SCHEMBL9670428 0.75 LYPLA1 (0.54) LYPLA1LYPLA2CHRNB2CHRNA4HRH3
SCHEMBL3672602 0.75 HRH3 (0.45) KDM4ECHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16840077 0.74 PPARG (0.34) LYPLA1LYPLA2KDM4ECHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
US-20030125467-A1 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) 2003-07-03 US disclosed