SCHEMBL6888807

SCHEMBL6888807

C[Si](C)(C)OC(=O)c1ccc(C#Cc2ccc(C#Cc3ccc(N4CCOCCOCCN(Cc5ccc(C#N)cc5)CCOCCOCC4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
ITK Q08881 1/20 0.46
MAPK1 P28482 1/20 0.45
ACACB O00763 1/20 0.45
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44

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
SCHEMBL6889864 0.86 ALDH1A1 (0.48) ALDH1A1MAPTACACBMMP2MMP9
SCHEMBL6883993 0.81 HRH3 (0.45) ACACBMMP2MMP8MMP13
SCHEMBL5051836 0.80 HRH3 (0.46) SMN1; SMN2ACACBUSP2MMP2MMP8
SCHEMBL6884731 0.79 HRH3 (0.46) ACACBMMP2MMP8MMP13
SCHEMBL254974 0.78 MAPK1 (0.70) MAPTSMN1; SMN2MAPK1MMP2MMP9
SCHEMBL3012377 0.77 HRH3 (0.59) SMN1; SMN2USP2MMP2MMP8MMP13
SCHEMBL5056216 0.76 HRH3 (0.48) ALDH1A1MAPTSMN1; SMN2USP2
SCHEMBL3007803 0.74 SMN1; SMN2 (0.72) ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL155961 0.73 HRH3 (0.65) ALDH1A1MAPTSMN1; SMN2USP2
SCHEMBL255145 0.73 MMP13 (0.57) ALDH1A1MMP2MMP9MMP8MMP13

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