SCHEMBL4699372

SCHEMBL4699372

C=CCOC(=O)c1cc(N(CC=C)C(=O)OCc2ccccc2)cc([As](C)S(=O)(=O)CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 4/20 0.33
KMT2A Q03164 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
CCR5 P51681 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2527725 0.84 MAPT (0.40) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2526014 0.82 ALDH1A1 (0.36) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2526066 0.78 ALDH1A1 (0.41) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2528439 0.75 ALDH1A1 (0.40) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2529528 0.74 ALDH1A1 (0.38) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL4878311 0.74 HPGD (0.47) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2532552 0.73 HPGD (0.44) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2533468 0.73 ALDH1A1 (0.43) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2530507 0.73 ALDH1A1 (0.43) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL2526880 0.73 TSHR (0.47) MAPTALDH1A1HPGDRAB9AKMT2A

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-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed