SCHEMBL2764074

SCHEMBL2764074

COC1(c2ccccc2C(C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(OC)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.32
PTPRC P08575 1/20 0.30
BACE1 P56817 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2763687 0.80 PDK2 (0.54) PDK2PTGDR2ALDH1A1TSHRTDP1
SCHEMBL2764075 0.75 MEN1 (0.35) PDK2ALDH1A1
SCHEMBL5716862 0.72 PDK2 (0.37) PDK2
SCHEMBL25596084 0.71 PDK2 (0.44) PDK2PTPRC
SCHEMBL18748421 0.71 PDK2 (0.36) PDK2PTPRCALDH1A1
SCHEMBL3286383 0.71 PDK2 (0.32) PDK2
SCHEMBL26157447 0.70 PDK2 (0.42) PDK2PTGDR2PTPRC
SCHEMBL1923391 0.68 PDK2 (0.54) PDK2PTPRCALDH1A1TDP1
SCHEMBL25502728 0.68 PDK2 (0.41) PDK2ALDH1A1
SCHEMBL3885909 0.67 PDK2 (0.49) PDK2PTPRCALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723455-B2 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1656408-B1 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-04-14 EP disclosed
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed