SCHEMBL3845894

SCHEMBL3845894

CCCCN=CCc1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMT2A Q03164 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SOAT1 P35610 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2D6 P10635 1/20 0.34
PPARA Q07869 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
SCHEMBL3212445 0.77 KDM4E (0.31) KDM4EALDH1A1GAAMAPT
SCHEMBL3208795 0.76 KDM4E (0.30) KDM4EALDH1A1GAAMAPT
SCHEMBL7866577 0.76 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL3207617 0.76 KDM4E (0.32) KDM4EALDH1A1GAAMAPT
SCHEMBL3203377 0.76 KDM4E (0.30) KDM4EALDH1A1GAAMAPT
SCHEMBL3203678 0.76 KDM4E (0.30) KDM4EALDH1A1GAAMAPT
SCHEMBL3215408 0.76 KDM4E (0.30) KDM4EALDH1A1GAAMAPT
SCHEMBL3208433 0.76 KDM4E (0.30) KDM4EALDH1A1GAAMAPT
SCHEMBL3208440 0.73
SCHEMBL367335 0.72 DPP4 (0.52) DPP4PDCD1CD274KMT2ALTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed