SCHEMBL6889864

SCHEMBL6889864

N#Cc1ccc(CN2CCOCCOCCN(c3ccc(C#Cc4ccc(C#Cc5ccc(C(=O)O)cc5)cc4)cc3)CCOCCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MMP13 P45452 5/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
ACACB O00763 1/20 0.47

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
SCHEMBL255145 0.87 MMP13 (0.57) ALDH1A1MMP13MMP2MMP9MMP8
SCHEMBL6888807 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMMP13MMP2MMP9
SCHEMBL6884731 0.84 HRH3 (0.46) MMP13MMP2MMP8ACACB
SCHEMBL3013949 0.83 SMN1; SMN2 (0.59) ALDH1A1
SCHEMBL14715273 0.83 MMP13 (0.56) ALDH1A1MMP13MMP2MMP9MMP8
SCHEMBL15235767 0.82 HPGD (0.54) ALDH1A1MMP13MMP2MMP9MMP8
SCHEMBL27783861 0.82 SMN1; SMN2 (0.58) ALDH1A1
SCHEMBL6883993 0.82 HRH3 (0.45) MMP13MMP2MMP8ACACB
SCHEMBL3012377 0.82 HRH3 (0.59) MMP13MMP2MMP8
SCHEMBL5051836 0.81 HRH3 (0.46) MMP13MMP2MMP8ACACB

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-20040108509-A1 Light emitting molecules and organic light emitting devices including light emitting molecules GOUGH, NEIL (GB) 2004-06-10 US disclosed
WO-2004034015-A2 LIGHT EMITTING MOLECULES AND ORGANIC LIGHT EMITTING DEVICES INCLUDING LIGHT EMITTING MOLECULES COLED TECHNOLOGIES, INC. (US) 2004-04-22 WO disclosed