SCHEMBL6154693

SCHEMBL6154693

COC(=O)OC1(C)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ITGA4 P13612 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
PDK2 Q15119 7/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MITF O75030 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APEX1 P27695 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
MAP2K7 O14733 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3524770 0.81 ALDH1A1 (0.46) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL3633870 0.81 THRB (0.48) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL5731715 0.81 P2RX4 (0.42) MAPTALDH1A1ITGA4KMT2ALMNA
SCHEMBL19335310 0.76 THRB (0.40) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL2774493 0.75 ELANE (0.41) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL15108313 0.73 MAPT (0.43) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL4217613 0.73 ALDH1A1 (0.49) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL21136952 0.72 SLC25A5 (0.35) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL18894103 0.72 MAPT (0.38) MAPTALDH1A1ITGA4TDP1THRB
SCHEMBL13126124 0.71 ALDH1A1 (0.38) MAPTALDH1A1ITGA4TDP1THRB

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
EP-1472250-B1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2014-11-26 EP disclosed
EP-1561751-A1 Fluorene carboxylic acid esters, methods for the production thereof, and use of the same as pharmaceuticals Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-10 EP disclosed
EP-1472251-B1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-20 EP disclosed
EP-1472251-A1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-11-03 EP disclosed
EP-1472250-A1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-11-03 EP disclosed
WO-2003064418-A1 ANTICHOLINERGIC AGENTS, METHOD FOR PRODUCING THE SAME AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed
WO-2003064419-A1 NOVEL FLUORENE CARBOXYLIC ACID ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS PHARMACEUTICALS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 WO disclosed