SCHEMBL5983433

SCHEMBL5983433

C[Sn](C)(C)c1ccc(C(=O)OC(=N)CCC(=O)OC(=O)c2ccc([Sn](C)(C)C)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ESR1 P03372 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ESR2 Q92731 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL5047980 0.83 LOXL2 (0.33)
SCHEMBL6307975 0.83 MAPT (0.40) GAAMAPT
SCHEMBL9753847 0.81 LMNA (0.35) GAAMAPTESR1
SCHEMBL8948561 0.80 TPMT (0.38) GAACA1CA2
SCHEMBL17907572 0.80 NPC1 (0.42) MAPTCA1CA2
SCHEMBL6754862 0.79 MAPK1 (0.46) GAAMAPT
SCHEMBL43876 0.77 ALDH1A1 (0.49) MAPT
SCHEMBL15515208 0.77 ELANE (0.46) GAAMAPT
SCHEMBL10810727 0.77 ALDH1A1 (0.39)
Hydrochloric Acid SCHEMBL7910400 0.76 GAA (0.37) GAAMAPTCA1CA2

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-1641818-A1 POLYPEPTIDES HAVING BINDING AFFINITY FOR HER2 Affibody AB (SE) 2006-04-05 EP disclosed
WO-2005003156-A1 POLYPEPTIDES HAVING BINDING AFFINITY FOR HER2 AFFIBODY AB (SE) 2005-01-13 WO disclosed