SCHEMBL8420151

SCHEMBL8420151

CCOCCC(c1ccc(OC)c(OC)c1)[C@H]1NC(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8779469 0.90 TNF (0.42) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL8421376 0.86 TNF (0.56) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL8421923 0.86 TNF (0.56) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL8419507 0.86 KDM4E (0.44) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL8779410 0.84 TNF (0.49) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL8779401 0.83 HSD17B10 (0.41) TNFALDH1A1PDE4APDE4BPDE4C
SCHEMBL7856722 0.81 TNF (0.56) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL7846184 0.79 PDE4A (0.60) TNFALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL825934 0.78 TNF (0.48) TNFKDM4EPDE4APDE4BPDE4C
SCHEMBL8779441 0.78 CYP1A2 (0.39) ALDH1A1KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP disclosed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO disclosed
EP-0797437-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1997-10-01 EP disclosed
WO-1996020705-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1996-07-11 WO disclosed