SCHEMBL8149396

SCHEMBL8149396

N#Cc1cc(C2(c3cc(C#N)c(O)c(C#N)c3)c3ccccc3-c3ccccc32)cc(C#N)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 7/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
PGR P06401 2/20 0.35
AR P10275 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
GPR35 Q9HC97 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8155633 0.83 ESR2 (0.59) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL1168040 0.77 MEN1 (0.50) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL5448639 0.76 ESR1 (0.58) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL29616926 0.76 ESR1 (0.58) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL8151936 0.75 AKR1C1 (0.63) ESR2ESR1MEN1KMT2AMAPT
SCHEMBL8150327 0.74 USP8 (0.36) ESR2KDM4EMAPTSMN1; SMN2PDK2
SCHEMBL30063507 0.74 ESR1 (0.55) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL22452824 0.74 ESR1 (0.55) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL212466 0.73 KMT2A (0.43) ESR2ESR1MEN1KMT2AKDM4E
SCHEMBL7917312 0.73 ESR1 (0.50) ESR2ESR1MEN1KMT2AKDM4E

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