SCHEMBL6690140

SCHEMBL6690140

CCCOc1ccccc1C(CC(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.56
PDE4A P27815 6/20 0.56
PDE4B Q07343 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6694346 0.91 PDE4A (0.66) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6694212 0.86 TNF (0.69) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6690149 0.81 TNF (0.59) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6098458 0.80 PDE4A (0.84) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL12310209 0.76 CYSLTR2 (0.49) LMNAKMT2ACYSLTR2CYSLTR1ALDH1A1
SCHEMBL6688750 0.75 PDE4A (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693294 0.75 CYSLTR2 (0.48) LMNAKMT2ACYSLTR2CYSLTR1ALDH1A1
SCHEMBL6692793 0.75 PDE4A (0.89) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6692796 0.74 TNF (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8007597 0.74 PDE4A (0.82) TNFPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed