SCHEMBL7459574

SCHEMBL7459574

COc1cc2c(cc1-c1c(/C=C3/SC(=O)NC3=O)cccc1OC(F)(F)F)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
GSK3A P49840 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
PIM1 P11309 7/20 0.45
PIM2 Q9P1W9 7/20 0.45
PTPN1 P18031 3/20 0.44
ESRRA P11474 2/20 0.44
CYP3A4 P08684 1/20 0.44
PIM3 Q86V86 2/20 0.43
TTR P02766 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
RXRA P19793 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4B Q07343 1/20 0.42
IGF1R P08069 1/20 0.42
GSK3B P49841 1/20 0.41
GLS O94925 1/20 0.41
GLS2 Q9UI32 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
SCHEMBL7459582 1.00 SCN9A (0.49) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7469547 0.90 RXRA (0.51) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7469552 0.90 RXRA (0.51) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7461821 0.89 PIM1 (0.49) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7461818 0.89 PIM1 (0.49) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7465806 0.88 SCN9A (0.48) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7465810 0.88 SCN9A (0.48) SCN9AGSK3ANR1H4PIM1PIM2
SCHEMBL7463047 0.86 ESRRA (0.53) GSK3APIM1PIM2PTPN1ESRRA
SCHEMBL7463041 0.86 ESRRA (0.53) GSK3APIM1PIM2PTPN1ESRRA
SCHEMBL7460804 0.84 GSK3A (0.52) GSK3APIM1PIM2PTPN1PIM3

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-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed