SCHEMBL6314730

SCHEMBL6314730

COc1cc(C)c(OC)c(C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.41
PRKDC P78527 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 1/20 0.40
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
AKR1B1 P15121 4/20 0.39
CYP19A1 P11511 2/20 0.38
NQO2 P16083 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCC4 O15439 1/20 0.37

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
SCHEMBL1637170 0.85 ERN1 (0.44) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL5143502 0.85 ERN1 (0.41) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL4551009 0.84 ALDH1A1 (0.44) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL30608691 0.84 ERN1 (0.43) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL25342401 0.81 PRKDC (0.40) ERN1PRKDCALDH1A1TDP1KDM4E
SCHEMBL10750407 0.81 ACHE (0.43) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL677316 0.78 CYP19A1 (0.46) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL29818735 0.78 ERN1 (0.46) ERN1PRKDCALDH1A1TDP1MAPT
SCHEMBL29793476 0.77 ACHE (0.50) ALDH1A1TDP1MAPTMEN1CYP3A4
SCHEMBL1635426 0.77 ACHE (0.50) ALDH1A1TDP1MAPTMEN1CYP3A4

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
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed