SCHEMBL28404891

SCHEMBL28404891

CC1=CC(C)C(C(=O)O)C(C(=O)O)C1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL27710054 0.80 POLB (0.52) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL28405582 0.74 MAPT (0.40) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL21950886 0.74 MAPT (0.40) POLBALDH1A1LMNA
SCHEMBL5954496 0.74 ALDH1A1 (0.50) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL5048942 0.69 POLB (0.46) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL2131868 0.68 ALDH1A1 (0.44) POLBALDH1A1LMNA
SCHEMBL1924574 0.68 POLB (1.00) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL12763458 0.67 POLB (0.40) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL27482973 0.67 POLB (0.46) POLBALDH1A1LMNACTDSP1TDP1
SCHEMBL10708498 0.67 POLB (1.00) POLBALDH1A1LMNACTDSP1TDP1

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-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed