SCHEMBL4463498

SCHEMBL4463498

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC37A4 O43826 2/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
DUSP3 P51452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
THRB P10828 2/20 0.37
LCK P06239 1/20 0.37
GLA P06280 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL4463478 0.91 SLC37A4 (0.42) SMN1; SMN2SLC37A4MAPTMEN1KMT2A
SCHEMBL4453646 0.84 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4463509 0.82 MTNR1A (0.40) RAB9ANPC1SMN1; SMN2SLC37A4MAPT
SCHEMBL2955955 0.82 SLC37A4 (0.45) RAB9ANPC1SMN1; SMN2SLC37A4MAPT
Anthraquinone SCHEMBL2946623 0.82 SLC37A4 (0.45) RAB9ANPC1SMN1; SMN2SLC37A4MAPT
SCHEMBL4453653 0.81 SLC37A4 (0.40) RAB9ANPC1SMN1; SMN2SLC37A4MAPT
SCHEMBL4455603 0.77 SLC37A4 (0.37) SLC37A4KMT2AALDH1A1MTNR1AMTNR1B
Anthraquinone SCHEMBL2948902 0.76 SLC37A4 (0.48) SLC37A4MEN1KMT2A
SCHEMBL4455628 0.75 ELANE (0.47) SMN1; SMN2SLC37A4MAPTMEN1KMT2A
SCHEMBL2946624 0.73 SLC37A4 (0.48) SLC37A4MEN1KMT2A

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