SCHEMBL21784944

SCHEMBL21784944

CCc1ccc(C(=O)C(OC)(OC)c2ccc(CC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.59
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLK1 P53350 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL21784937 0.87 CES1 (0.56) CES1ALDH1A1TDP1PLK1TAS1R3
SCHEMBL18790833 0.86 CES1 (0.59) CES1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL18790834 0.85 CES1 (0.57) CES1PLK1CA1CA2L3MBTL1
SCHEMBL21784948 0.84 PLK1 (0.54) CES1ALDH1A1PLK1HPGD
SCHEMBL13268944 0.80 CES1 (0.65) CES1ALDH1A1TDP1HPGDCA1
SCHEMBL9800584 0.80 CES1 (0.65) CES1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL31208574 0.80 CES1 (0.65) CES1ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL22309581 0.79 CES1 (0.62) CES1ALDH1A1TDP1PLK1CA1
SCHEMBL11492544 0.79 CES1 (0.62) CES1ALDH1A1CA1CA2L3MBTL1
SCHEMBL18790471 0.79 CES1 (0.62) CES1ALDH1A1TDP1CA1CA2

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
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed