SCHEMBL4453646

SCHEMBL4453646

COc1cc2c(c(C)c1OC(=O)OC(C)(C)C)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LCK P06239 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
MTNR1A P48039 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
SCHEMBL4455628 0.90 ELANE (0.47) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4460906 0.85 BCL2 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4463498 0.84 RAB9A (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2957671 0.81 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4463509 0.78 MTNR1A (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4453653 0.77 SLC37A4 (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4455117 0.75 MEN1 (0.50) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4463478 0.75 SLC37A4 (0.42) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL13742921 0.75 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4455603 0.73 SLC37A4 (0.37) KMT2AALDH1A1THRBMTNR1AMTNR1B

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