SCHEMBL2990513

SCHEMBL2990513

O=C1C(=O)c2c(ccc(O)c2O)-c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.78
KMT2A Q03164 9/20 0.78
MAPT P10636 8/20 0.78
MCL1 Q07820 6/20 0.78
MAOA P21397 5/20 0.78
MAPK1 P28482 5/20 0.78
ALDH1A1 P00352 5/20 0.78
KDM4E B2RXH2 4/20 0.78
RECQL P46063 4/20 0.78
HPGD P15428 4/20 0.78
BCL2 P10415 4/20 0.78
CYP3A4 P08684 3/20 0.78
ALOX15 P16050 3/20 0.78
HSD17B10 Q99714 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
APEX1 P27695 2/20 0.78
ALOX12 P18054 2/20 0.78
DAPK1 P53355 2/20 0.78
CYP1B1 Q16678 2/20 0.78
TDP1 Q9NUW8 4/20 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
SCHEMBL7983966 0.96 MAPT (0.85) MEN1KMT2AMAPTMCL1MAOA
SCHEMBL31177134 0.96 MAPT (0.85) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL29373337 0.88 MAPT (1.00) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL21114402 0.88 MAPT (1.00) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL18614 0.88 MAPT (1.00) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL4972786 0.88 MAPT (1.00) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL7839563 0.86 MAPT (0.96) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL22471867 0.86 MAPT (0.96) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL11805858 0.86 MAPT (0.96) MEN1KMT2AMAPTMCL1MAOA
Athraquinones A SCHEMBL30498009 0.86 MAPT (0.96) MEN1KMT2AMAPTMCL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100180937-A1 HOLOGRAPHIC ENERGY-COLLECTING MEDIUM AND ASSOCIATED DEVICE GENERAL ELECTRIC COMPANY (US) 2010-07-22 US disclosed
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