SCHEMBL4592716

SCHEMBL4592716

O=C(O)CC(=O)CC=Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.59
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2D6 P10635 3/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL9488251 0.89 MAPT (0.61) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL30227267 0.87 TBXAS1 (0.66) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL868080 0.87 TBXAS1 (0.66) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL868079 0.87 TBXAS1 (0.66) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL23992178 0.80 TBXAS1 (0.60) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL17787984 0.80 MAPT (0.62) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL8855219 0.79 PAM (0.67) MAPTCYP2D6KMT2ACYP2C9PAM
SCHEMBL8855207 0.79 PAM (0.67) MAPTCYP2D6KMT2ACYP2C9PAM
SCHEMBL12805902 0.77 TBXAS1 (0.51) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL1694885 0.77 TBXAS1 (0.57) TBXAS1MAPTRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed