SCHEMBL7401401

SCHEMBL7401401

COc1cccc(C(CC(=O)O)N2C(=O)c3ccccc3C2=O)c1.c1cc2ccc1CO2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.56
PDE4A P27815 7/20 0.52
PDE4B Q07343 7/20 0.52
PDE4C Q08493 7/20 0.52
PDE4D Q08499 7/20 0.52
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6691607 0.88 TNF (0.70) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL28720142 0.78 TNF (0.61) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693845 0.75 TNF (0.79) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3121844 0.72 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6690004 0.72 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6691297 0.72 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6689045 0.72 ALDH1A1 (0.65) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL27774096 0.71 CASR (0.40) L3MBTL1
SCHEMBL1119594 0.69 CES2 (0.51) KMT2AL3MBTL1
SCHEMBL6690018 0.69 TNF (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed