SCHEMBL8996379

SCHEMBL8996379

COc1ccc(OC)c2c1C(=O)OC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
USP2 O75604 1/20 0.56
DUSP3 P51452 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 4/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
S1PR4 O95977 1/20 0.52
HSP90AA1 P07900 1/20 0.52
G6PD P11413 1/20 0.52
S1PR1 P21453 1/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL9506291 0.89 POLL (0.49) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7477968 0.88 KDM4E (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL13475464 0.88 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1829004 0.88 KDM4E (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL9621313 0.82 ALDH1A1 (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL382674 0.81 TOP1 (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL30610021 0.81 TOP1 (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3273673 0.78 KMT2A (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL4226377 0.78 RAB9A (0.57) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7709655 0.76 TYMS (0.56) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
US-5294375-A Thermochromic materials POLAROID CORPORATION (US) 1994-03-15 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 US disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed
US-4289781-A Anti-psychotic phthalimidine derivatives ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1981-09-15 US disclosed
EP-0026749-A1 Phthalimidine derivatives and pharmaceutical compositions containing them Astra Läkemedel Aktiebolag (SE) 1981-04-08 EP disclosed
US-4250007-A Photocurable acrylic phosphate esters of epoxidized polybutadiene UBE INDUSTRIES, LTD. (JP) 1981-02-10 US disclosed
US-4032656-A ANTIPROSTAGLANDIN ACTIVITY, ANTIDIARRHEA AGENTS SMITHKLINE CORPORATION (US) 1977-06-28 US disclosed