SCHEMBL27757243

SCHEMBL27757243

CC(=O)Cc1ccc2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.48
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APEX1 P27695 1/20 0.36
FOLH1 Q04609 1/20 0.36
AKR1B1 P15121 1/20 0.35

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
SCHEMBL2009829 0.89 PDK2 (0.49) PDK2THRBTDP1APEX1FOLH1
SCHEMBL21577171 0.80 PDK2 (0.41) PDK2ALDH1A1THRBTDP1APEX1
SCHEMBL12683624 0.79 PDK2 (0.43) PDK2THRBTDP1APEX1
SCHEMBL12807172 0.79 PDK2 (0.42) PDK2ALDH1A1AKR1B1
SCHEMBL19226316 0.78 KMT2A (0.39) PDK2ALDH1A1
SCHEMBL11679361 0.77 PDK2 (0.50) PDK2ALDH1A1THRBTDP1APEX1
SCHEMBL24162744 0.77 PDK2 (0.43) PDK2ALDH1A1
Ethylene SCHEMBL28110102 0.76 PDK2 (0.42) PDK2ALDH1A1APEX1
SCHEMBL12393777 0.76 PDK2 (0.40) PDK2APEX1
SCHEMBL236472 0.76 PDK2 (0.63) PDK2ALDH1A1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541714-A Condensed ring aromatic compound and organic light emitting device using the same CANON KK (JP) 2009-09-23 CN disclosed