SCHEMBL8150327

SCHEMBL8150327

N#Cc1cc(C2(c3cc(C#N)c(O)c(C#N)c3)NC(=O)c3ccccc32)cc(C#N)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
ITGA4 P13612 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CHEK1 O14757 2/20 0.36
WEE1 P30291 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
MAPT P10636 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8150507 0.88 MAPT (0.39) USP8USP7ITGA4ALDH1A1CHEK1
SCHEMBL8151667 0.78 DHFR (0.46) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL8150743 0.78 AKR1C1 (0.55) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL8154470 0.78 L3MBTL1 (0.46) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL8156432 0.77 HDAC4 (0.41) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL10049655 0.74 KMT2A (0.50) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL8149396 0.74 ESR2 (0.46) USP8USP7ALDH1A1MAPTSMN1; SMN2
SCHEMBL29508189 0.74 KMT2A (0.50) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL11990851 0.73 ITGA4 (0.48) ITGA4ALDH1A1CA12CA1CA2
SCHEMBL8151936 0.73 AKR1C1 (0.63) ALDH1A1MAPTSMN1; SMN2ESR2AKR1C1

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-6051294-A RETORT-STERILIZABLE PACKAGING MATERIALS EXHIBITING HIGH BARRIER TO OXYGEN THE DOW CHEMICAL COMPANY (US) 2000-04-18 US disclosed
US-5814373-A PACKAGING OF OXYGEN SENSITIVE MATERIALS INSIDE A CONTAINER COMPRISING A THERMOPLASTIC POLYMER DOW CHEMICAL COMPANY (US) 1998-09-29 US disclosed