SCHEMBL3286383

SCHEMBL3286383

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 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
SCHEMBL2763687 0.56 PDK2 (0.54) PDK2
SCHEMBL25818655 0.53 ALDH1A1 (0.36) PDK2
SCHEMBL26561884 0.53 PDK2 (0.46) PDK2
Methoxymethane SCHEMBL28022478 0.52 ALDH1A1 (0.55)
SCHEMBL14211028 0.51 ALDH1A1 (0.45)
SCHEMBL25613496 0.51 ALDH1A1 (0.45) PDK2
SCHEMBL28220890 0.51 PDK2 (0.41) PDK2
SCHEMBL31425001 0.50 HIF1A (0.69)
SCHEMBL10888463 0.50 MAPT (0.38)
SCHEMBL6689030 0.50 LMNA (0.58)

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 2 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
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed