SCHEMBL7158339

SCHEMBL7158339

O=[C]c1c(O)cc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 1/20 0.39
FASN P49327 1/20 0.39
NQO1 P15559 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
ACHE P22303 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CES2 O00748 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL11840328 0.72 ALDH1A1 (0.45) CYP3A4MEN1KMT2AHPGDTDP1
SCHEMBL5780751 0.71 CA2 (0.45) CYP3A4MEN1KMT2AHPGDTDP1
SCHEMBL9743229 0.71 MAPKAPK2 (0.40) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL12378891 0.71 BACE1 (0.39) CYP3A4MEN1KMT2AHPGDBACE1
Phloroglucinol SCHEMBL27994526 0.70 BACE1 (0.67) CYP3A4MEN1KMT2AHPGDBACE1
Lithium SCHEMBL31440637 0.69 BACE1 (0.37) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL7452126 0.67 ACHE (0.39) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL23510833 0.67 ALDH1A1 (0.39) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL19024853 0.67 BACE1 (0.41) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL3019632 0.67 BACE1 (0.50) CYP3A4MEN1KMT2AHPGDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528655-B1 Hydroxyphenyl diamido derivatives PHARMACOR, INC. (CA) 2003-03-04 US disclosed
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed