SCHEMBL14928847

SCHEMBL14928847

COC(=O)c1cc(C2(c3ccc(C)c(COC=O)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OCCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 5/20 0.33
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL14929049 0.89 ALDH1A1 (0.41) HSP90AA1MAPTHTTNPSR1CYP1A2
SCHEMBL14928851 0.86 CYP1A2 (0.34) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL10348964 0.85 HSP90AA1 (0.31) HSP90AA1MAPTHTTNPSR1
SCHEMBL13828488 0.83 SRC (0.38) HSP90AA1MAPTHTTNPSR1CYP1A2
SCHEMBL14928823 0.80 CYP1A2 (0.41) HSP90AA1MAPTHTTNPSR1CYP1A2
SCHEMBL14928875 0.80 SRC (0.31) SRC
SCHEMBL14929066 0.78 CYP1A2 (0.38) HSP90AA1MAPTHTTNPSR1CYP1A2
SCHEMBL14928845 0.77 THRA (0.38) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL14929065 0.77 THRA (0.38) CYP1A2CYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL10348418 0.77 ALDH1A1 (0.35) HSP90AA1MAPTHTTNPSR1CYP1A2

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-8963422-B2 Method for manufacturing organic light-emitting device and organic light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 US disclosed
US-20130112966-A1 METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-09 US disclosed