SCHEMBL4453653

SCHEMBL4453653

COc1cccc(C=O)c1Cc1c(OC(=O)OC(C)(C)C)c(OC)cc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 4/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LCK P06239 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
ERN1 O75460 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL4463509 0.86 MTNR1A (0.40) SLC37A4MAPTALDH1A1LCKGLA
SCHEMBL2947006 0.85 SLC37A4 (0.48) SLC37A4MAPTALDH1A1LCKGLA
SCHEMBL4463498 0.81 RAB9A (0.40) SLC37A4MAPTALDH1A1LCKGLA
SCHEMBL4455603 0.81 SLC37A4 (0.37) SLC37A4ALDH1A1THRBMTNR1AMTNR1B
SCHEMBL4463478 0.77 SLC37A4 (0.42) SLC37A4MAPTALDH1A1SMN1; SMN2ELANE
SCHEMBL4453646 0.77 NPC1 (0.43) MAPTALDH1A1LCKGLATHRB
SCHEMBL4451751 0.76 SLC37A4 (0.32) SLC37A4
SCHEMBL16072692 0.73 SRC (0.54) MAPTALDH1A1NPC1RAB9AELANE
SCHEMBL4455628 0.72 ELANE (0.47) SLC37A4MAPTALDH1A1SMN1; SMN2ELANE
SCHEMBL2955820 0.71 SLC37A4 (0.46) SLC37A4MAPTALDH1A1MTNR1AMTNR1B

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