SCHEMBL8773067

SCHEMBL8773067

O=C1C(=O)c2cc(O)ccc2-c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.74
ESR2 Q92731 3/20 0.74
MAOA P21397 2/20 0.74
UGT1A1 P22309 1/20 0.74
MAOB P27338 1/20 0.74
PTPRC P08575 8/20 0.63
S100A4 P26447 5/20 0.59
APAF1 O14727 4/20 0.59
TDP2 O95551 3/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
RAB9A P51151 3/20 0.59
GALK1 P51570 3/20 0.59
BLM P54132 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
PLA2G1B P04054 2/20 0.59

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
Anthraquinone SCHEMBL28256672 0.95 ESR1 (0.82) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL8210089 0.95 ESR1 (0.67) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL143100 0.95 ESR1 (0.82) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL30366712 0.95 ESR1 (0.82) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL28320135 0.95 ESR1 (0.82) ESR1ESR2MAOAUGT1A1MAOB
2-Hydroxyanthraquinone SCHEMBL498619 0.93 ESR1 (0.86) ESR1ESR2MAOAUGT1A1MAOB
2-Hydroxyanthraquinone SCHEMBL28843858 0.93 ESR1 (0.86) ESR1ESR2MAOAUGT1A1MAOB
2-Hydroxyanthraquinone SCHEMBL28853822 0.91 ESR1 (0.82) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL2029500 0.91 ESR1 (0.74) ESR1ESR2MAOAUGT1A1MAOB
SCHEMBL23111390 0.91 ESR2 (0.80) ESR1ESR2MAOAUGT1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP disclosed