SCHEMBL12619682

SCHEMBL12619682

Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(C)c5ccc(OCCCCc6ccc7c(c6)CC7)cc5)cc4)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.39
LSS P48449 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARA Q07869 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
BCL2 P10415 1/20 0.35

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
SCHEMBL12619690 0.87 CHKA (0.35) FFAR1
SCHEMBL12379519 0.87 CHKA (0.37) FFAR1
SCHEMBL12379499 0.83 IGF1R (0.41) HRH3
SCHEMBL12379511 0.82 MTNR1A (0.35) KCNH2FFAR4HRH3MAOAMAOB
SCHEMBL12379486 0.82 SIGMAR1 (0.35)
SCHEMBL12379497 0.82 SIGMAR1 (0.35)
SCHEMBL12619714 0.82 SIGMAR1 (0.35)
SCHEMBL12619848 0.82 KCNH2 (0.44) KCNH2LTB4RLTB4R2HRH3MAOA
SCHEMBL12379520 0.81 CHKA (0.37) KCNH2FFAR4DRD2DRD3
SCHEMBL16682926 0.80 KCNH2 (0.44) KCNH2FFAR1HRH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8581241-B2 Polymer compound, net-like polymer compound produced by crosslinking the polymer compound, composition for organic electroluminescence element, organic electroluminescence element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-12 US disclosed
US-20130020562-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION 2013-01-24 US disclosed
US-20110108814-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-12 US disclosed