SCHEMBL4460906

SCHEMBL4460906

Cc1c(OC(=O)OC(C)(C)C)c(O)cc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.44
MCL1 Q07820 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LCK P06239 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
TTR P02766 3/20 0.40
PKLR P30613 6/20 0.39
PGAM1 P18669 4/20 0.38
PDK4 Q16654 1/20 0.38
ELANE P08246 1/20 0.38
PTPN1 P18031 2/20 0.37
MEN1 O00255 2/20 0.37
MAOA P21397 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPRC P08575 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4455117 0.89 MEN1 (0.50) MAPTALDH1A1THRBTTRELANE
SCHEMBL4453646 0.85 NPC1 (0.43) MCL1MAPTALDH1A1LCKGLA
SCHEMBL2955404 0.80 BCL2 (0.47) BCL2MCL1MAPTALDH1A1LCK
SCHEMBL29066464 0.78 MAPT (0.63) BCL2MCL1MAPTALDH1A1LCK
SCHEMBL4455628 0.75 ELANE (0.47) MAPTALDH1A1TTRELANEMEN1
SCHEMBL13742921 0.74 MAPT (0.51) MAPTALDH1A1THRBTTRPDK4
SCHEMBL4463498 0.72 RAB9A (0.40) MCL1MAPTALDH1A1LCKGLA
SCHEMBL3174840 0.72 BCL2 (0.71) BCL2MCL1MAPTALDH1A1LCK
SCHEMBL8976133 0.70 MAPT (0.40) BCL2MCL1MAPTALDH1A1LCK
SCHEMBL2957671 0.70 MAPT (0.44) MAPTALDH1A1LCKGLATHRB

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