SCHEMBL28028227

SCHEMBL28028227

O=C1C(=O)c2ccc(Oc3ccc(O)cc3)c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 12/20 0.44
▸ BCL2 P10415 7/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ BCL2L1 Q07817 2/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL1198049 0.85 ADORA2A (0.50) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL15177181 0.84 MCL1 (0.58) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL28028179 0.84 LTA4H (0.44) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL28834355 0.82 MCL1 (0.41) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL29151801 0.82 LTA4H (0.42) MCL1BCL2KMT2AKDM4EALDH1A1
Bromide SCHEMBL28952170 0.81 LTA4H (0.41) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL29151803 0.81 MCL1 (0.40) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL29151807 0.81 MCL1 (0.40) MCL1BCL2KMT2AKDM4EALDH1A1
SCHEMBL14935514 0.81 MCL1 (0.60) MCL1BCL2KMT2AKDM4EALDH1A1
Bromide SCHEMBL28834308 0.80 MCL1 (0.39) MCL1BCL2KMT2AKDM4EALDH1A1

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
CN-104829488-B A kind of support type α diimine metal complexes and its application in olefin polymerization 天津工业大学 2017-03-01 — — CN disclosed
CN-104926686-B A kind of alpha-diimine compound and comprise the metal complex of this compound, loaded article and its application 河北工业大学 2016-11-09 — — CN disclosed
CN-104926686-A Alpha-diimine compound, metal complex and load containing compound and application thereof UNIV HEBEI TECHNOLOGY 2015-09-23 — — CN disclosed
CN-104829488-A Supported alpha-diimine metal complex, and its application in olefin polymerization UNIV TIANJIN POLYTECHNIC 2015-08-12 — — CN disclosed
Send feedback