SCHEMBL8596787

SCHEMBL8596787

O=C1C(=O)c2ccccc2C(C2=CC(=O)c3ccccc3C2=O)=C1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.57
▸ PTPN1 P18031 3/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ TDP2 O95551 2/20 0.47
▸ P2RX7 Q99572 3/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ BLM P54132 3/20 0.44
▸ CDC25B P30305 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PLIN1 O60240 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ PLIN5 Q00G26 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL8598269 0.87 BACE1 (0.59) BACE1PTPN1APAF1TDP2P2RX7
SCHEMBL6555840 0.78 BACE1 (0.75) BACE1PTPN1APAF1TDP2MAPT
SCHEMBL31423340 0.73 BACE1 (1.00) BACE1PTPN1MAPTMAPK1MEN1
SCHEMBL29424584 0.73 BACE1 (0.56) BACE1PTPN1MAPTMAPK1MEN1
SCHEMBL8596788 0.73 PTPN1 (0.62) BACE1PTPN1APAF1TDP2MAPT
SCHEMBL312389 0.73 BACE1 (1.00) BACE1PTPN1MAPTMAPK1MEN1
SCHEMBL29673492 0.71 BACE1 (1.00) BACE1PTPN1MAPTMAPK1MEN1
SCHEMBL8596446 0.71 PTPN1 (0.64) BACE1PTPN1MAPTMAPK1MEN1
SCHEMBL5485068 0.71 BACE1 (1.00) BACE1PTPN1MAPTMAPK1MEN1
Lawsone SCHEMBL16541 0.70 MAPT (0.68) BACE1PTPN1APAF1TDP2MAPT

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
EP-0653441-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-02-04 — — EP disclosed
Send feedback