SCHEMBL7996933

SCHEMBL7996933

CS(=O)(=O)Oc1ccccc1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.62
CISD1 Q9NZ45 3/20 0.59
PIM1 P11309 2/20 0.58
PIM2 Q9P1W9 2/20 0.58
PTPN1 P18031 2/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NOD2 Q9HC29 1/20 0.51
PPARG P37231 1/20 0.50

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
SCHEMBL7987959 1.00 HPGD (0.62) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL8000500 0.89 PIM1 (0.57) HPGDCISD1PIM1PIM2
SCHEMBL8000496 0.89 PIM1 (0.57) HPGDCISD1PIM1PIM2
SCHEMBL7996857 0.83 HPGD (0.71) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7996853 0.83 HPGD (0.71) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7998309 0.81 HPGD (0.59) HPGDCISD1PIM1PIM2MEN1
SCHEMBL7998307 0.81 HPGD (0.59) HPGDCISD1PIM1PIM2MEN1
SCHEMBL7987897 0.80 HPGD (0.67) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7987900 0.80 HPGD (0.67) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7998360 0.80 ALDH1A1 (0.43) HPGDPTPN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed