SCHEMBL5698607

SCHEMBL5698607

NNC(=O)C=Cc1ccccc1OCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.49
▸ PTGER1 P34995 1/20 0.47
▸ PTGER4 P35408 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TFEB P19484 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL458059 0.87 LMNA (0.58) NFE2L2PTGER1PTGER4PTGER3PTGER2
SCHEMBL458060 0.87 LMNA (0.58) NFE2L2PTGER1PTGER4PTGER3PTGER2
SCHEMBL458476 0.81 NFE2L2 (0.69) NFE2L2ALDH1A1KDM4ELMNAMEN1
SCHEMBL458477 0.81 NFE2L2 (0.69) NFE2L2ALDH1A1KDM4ELMNAMEN1
SCHEMBL528919 0.81 PTGER4 (0.68) NFE2L2PTGER1PTGER4PTGER3PTGER2
Methylamine SCHEMBL15948926 0.80 NFE2L2 (0.67) NFE2L2ALDH1A1KDM4ELMNAMEN1
SCHEMBL20339063 0.77 MAPT (0.68) NFE2L2PTGER1PTGER4PTGER3PTGER2
SCHEMBL12425714 0.74 NFKB1 (0.63) NFE2L2ALDH1A1KDM4ELMNAHDAC1
SCHEMBL4254014 0.74 NFKB1 (0.63) NFE2L2ALDH1A1KDM4ELMNAHDAC1
SCHEMBL29412622 0.74 NFKB1 (0.63) NFE2L2ALDH1A1KDM4ELMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 — — EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 — — WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 — — WO disclosed
Send feedback