SCHEMBL15041018

SCHEMBL15041018

O=C(C(=O)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.47
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12930008 0.95 CES2 (0.52) PDK2CES2CES1THRBTDP1
SCHEMBL29114 0.89 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL134285 0.89 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL134286 0.89 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL15040934 0.88 PDK2 (0.42) PDK2THRBTDP1
SCHEMBL12337045 0.87 PDK2 (0.60) PDK2THRBTDP1
SCHEMBL31146728 0.87 PDK2 (0.55) PDK2THRBTDP1
SCHEMBL31151124 0.87 PDK2 (0.55) PDK2THRBTDP1
SCHEMBL5846670 0.87 PDK2 (0.55) PDK2THRBTDP1
SCHEMBL2456262 0.87 PDK2 (0.55) PDK2THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed