SCHEMBL6689047

SCHEMBL6689047

COc1ccc(C(CC(=O)O)N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.64
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.55
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LPAR3 Q9UBY5 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL6099935 0.83 PDE4A (0.74) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693845 0.81 TNF (0.79) TNFKMT2AATMPDE4APDE4B
SCHEMBL6693354 0.81 KMT2A (0.63) TNFKMT2AATMPDE4APDE4B
SCHEMBL6693790 0.79 TNF (0.65) TNFKMT2AATMPDE4APDE4B
SCHEMBL7741527 0.75 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7746332 0.74 TNF (0.81) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL12635990 0.72 ACHE (0.67) KMT2AALDH1A1PKMACHE
SCHEMBL6554210 0.72 KMT2A (0.55) KMT2AATMALDH1A1MEN1TP53
SCHEMBL11285711 0.71 CA12 (0.54) TNFKMT2AALDH1A1MEN1ACHE
SCHEMBL6691607 0.71 TNF (0.70) TNFKMT2AATMPDE4APDE4B

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 11 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 claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
EP-0706521-B1 IMIDES AS TNF ALPHA INHIBITORS CELGENE CORP (US) 2002-10-02 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US 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-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed