SCHEMBL6442550

SCHEMBL6442550

CC(C)(C)C1C[C]c2ccccc2N(CC(N)=S)C1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL1358387 0.59 CA12 (0.60) ALDH1A1
SCHEMBL29842074 0.59 CA12 (0.60) ALDH1A1
SCHEMBL6439156 0.58 LMNA (0.51) ALDH1A1
SCHEMBL14228458 0.57 RIPK1 (0.44) ALDH1A1L3MBTL1
SCHEMBL6425343 0.56 CHRM2 (0.38)
SCHEMBL18538768 0.56 RAB9A (0.41) ALDH1A1L3MBTL1
SCHEMBL18177877 0.56 GAA (0.59) ALDH1A1L3MBTL1
SCHEMBL4819614 0.54 ADRA2C (0.33) ALDH1A1
SCHEMBL23436481 0.54 KDM4E (0.41) ALDH1A1
SCHEMBL5745782 0.54 MAPT (0.37) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed