SCHEMBL4463478

SCHEMBL4463478

COc1cc2c(c(CBr)c1OC(=O)OC(C)(C)C)C(=O)c1c(OC)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 3/20 0.42
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
ELANE P08246 10/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSG P08311 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC4 O15439 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM2 P08172 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL4463498 0.91 RAB9A (0.40) SLC37A4MEN1KMT2AKDM4EUSP2
SCHEMBL4455628 0.85 ELANE (0.47) SLC37A4EGFRPIM1ELANEMEN1
SCHEMBL2946624 0.83 SLC37A4 (0.48) SLC37A4EGFRPIM1ELANEMEN1
Anthraquinone SCHEMBL2948902 0.82 SLC37A4 (0.48) SLC37A4EGFRPIM1ELANEMEN1
SCHEMBL4463509 0.78 MTNR1A (0.40) SLC37A4ELANEMEN1KMT2AKDM4E
SCHEMBL4453653 0.77 SLC37A4 (0.40) SLC37A4ELANEMEN1KMT2AKDM4E
SCHEMBL4453646 0.75 NPC1 (0.43) MEN1KMT2AKDM4EUSP2ALDH1A1
Anthraquinone SCHEMBL2946623 0.73 SLC37A4 (0.45) SLC37A4MEN1KMT2AKDM4EUSP2
SCHEMBL2955955 0.73 SLC37A4 (0.45) SLC37A4MEN1KMT2AKDM4EUSP2
SCHEMBL4455603 0.73 SLC37A4 (0.37) SLC37A4KMT2AALDH1A1LMNAHPGD

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
EP-2010474-A1 METHOD FOR THE PRODUCTION OF MUMBAISTATIN DERIVATIVES Sanofi-Aventis (FR) 2009-01-07 EP disclosed
WO-2007121822-A1 METHOD FOR THE PRODUCTION OF MUMBAISTATIN DERIVATIVES SANOFI-AVENTIS (DE) 2007-11-01 WO disclosed