SCHEMBL8769188

SCHEMBL8769188

CCCOC(=O)NCCC#CC#CCCNC(=O)OCCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.53
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SELP P16109 1/20 0.37

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
SCHEMBL9696257 0.88 ACHE (0.58) ACHESELP
SCHEMBL5606456 0.86 ACHE (0.50) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8769117 0.84 ACHE (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7351529 0.83 ACHE (0.55) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9676610 0.82 ACHE (0.48) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6892765 0.81 ACHE (0.53) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9676638 0.81 ACHE (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5700191 0.80 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8769122 0.80 ACHE (0.62) ACHESELP
Hydrochloric Acid SCHEMBL27825731 0.78 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554276-B1 IMAGEABLE RECORDING FILMS ISP INVESTMENTS INC (US) 1997-09-17 EP disclosed
EP-0554276-A4 ISP INVESTMENTS INC (US) 1995-08-02 EP disclosed
EP-0554276-A1 IMAGEABLE RECORDING FILMS. ISP INVESTMENTS INC (US) 1993-08-11 EP disclosed
US-5139928-A Containing mixture of crystalline acetylenic monomer particles and acetylenic polymer particles ISP INVESTMENTS INC. (US) 1992-08-18 US disclosed
WO-1992007294-A1 LASER IMAGEABLE POLYACETYLENE POLYMER ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
WO-1992007297-A1 LASER IMAGEABLE COMPOSITION ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed
WO-1992007298-A1 IMAGEABLE RECORDING FILMS ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed