SCHEMBL4455628

SCHEMBL4455628

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.47
EGFR P00533 1/20 0.45
PIM1 P11309 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CHRM2 P08172 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL4453646 0.90 NPC1 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4463478 0.85 SLC37A4 (0.42) ELANEEGFRPIM1MEN1KMT2A
SCHEMBL2958068 0.82 ELANE (0.49) ELANEEGFRPIM1MEN1KMT2A
SCHEMBL4455117 0.80 MEN1 (0.50) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL4460906 0.75 BCL2 (0.44) ELANEMEN1KMT2AALDH1A1MAPT
SCHEMBL16226654 0.75 SLC37A4 (0.56) ELANEEGFRPIM1MEN1KMT2A
SCHEMBL4463498 0.75 RAB9A (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3190559 0.73 MEN1 (0.58) ELANEEGFRPIM1MEN1KMT2A
SCHEMBL9791378 0.73 ELANE (0.46) ELANEKMT2AALDH1A1LMNAMAPT
SCHEMBL4463509 0.73 MTNR1A (0.40) ELANEMEN1KMT2AALDH1A1MAPT

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