SCHEMBL6441308

SCHEMBL6441308

CC(C)(C)OC(=O)C[C@H]1CCC(=O)Nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.44
DDB1 Q16531 8/20 0.44
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 1/20 0.41
EGFR P00533 1/20 0.39
LMNA P02545 2/20 0.38
CACNA1G O43497 1/20 0.36

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
SCHEMBL6443098 1.00 CRBN (0.44) CRBNDDB1ALDH1A1IDO1EGFR
SCHEMBL6439598 0.84 CRBN (0.43) CRBNDDB1
SCHEMBL29960713 0.82 IDO1 (0.46) CRBNDDB1ALDH1A1IDO1LMNA
SCHEMBL5025547 0.80 ALDH1A1 (0.50) CRBNDDB1ALDH1A1EGFRLMNA
SCHEMBL19984920 0.79 MTNR1A (0.47)
SCHEMBL6441669 0.79 MAPK1 (0.40) IDO1EGFRCACNA1G
SCHEMBL19585657 0.79 CRBN (0.64) CRBNDDB1
SCHEMBL8524142 0.76 CRBN (0.46) CRBNDDB1ALDH1A1
SCHEMBL5279457 0.76 IDO1 (0.59) ALDH1A1IDO1EGFR
SCHEMBL29960414 0.73 IDO1 (0.48) ALDH1A1IDO1LMNACACNA1G

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