SCHEMBL3783534

SCHEMBL3783534

O=C(O)CCCCCC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 16/20 0.72
DDB1 Q16531 15/20 0.72
IKZF3 Q9UKT9 2/20 0.53
TNF P01375 1/20 0.53
IL1B P01584 1/20 0.53
TBXA2R P21731 1/20 0.53
IKZF1 Q13422 1/20 0.53
BRD4 O60885 1/20 0.52
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
NCOR2 Q9Y618 4/20 0.51
HDAC4 P56524 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CHRM2 P08172 1/20 0.50
OPRM1 P35372 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5549995 0.94 DDB1 (0.75) CRBNDDB1IKZF3TNFIL1B
SCHEMBL18379556 0.92 CRBN (0.68) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24938255 0.92 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2384336 0.92 CRBN (0.70) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29808178 0.92 CRBN (0.73) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2381344 0.92 CRBN (0.73) CRBNDDB1IKZF3TNFIL1B
SCHEMBL501757 0.92 CRBN (0.73) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL2382665 0.91 CRBN (0.69) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL2399619 0.91 CRBN (0.69) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31563747 0.91 DDB1 (0.75) CRBNDDB1IKZF3TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363900-B1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF CELGENE CORP (US) 2007-01-24 EP claimed
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP claimed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 WO claimed
EP-2168958-A1 Isoindole-Imide Compounds, Compositions And Uses Thereof CELGENE CORPORATION (US) 2010-03-31 EP disclosed
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP disclosed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 WO disclosed