SCHEMBL21784937

SCHEMBL21784937

CCCc1ccc(C(=O)C(OC)(OC)c2ccc(CCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.56
PLK1 P53350 2/20 0.51
POLB P06746 3/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21784948 0.91 PLK1 (0.54) CES1PLK1ALDH1A1THRBKMT2A
SCHEMBL18790834 0.89 CES1 (0.57) CES1PLK1L3MBTL1NPC1RAB9A
SCHEMBL21784944 0.87 CES1 (0.59) CES1PLK1POLBALDH1A1GAA
SCHEMBL18790833 0.83 CES1 (0.59) CES1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL9800584 0.78 CES1 (0.65) CES1ALDH1A1GAANPC1RAB9A
SCHEMBL13268944 0.78 CES1 (0.65) CES1ALDH1A1KDM4EESR1ESR2
SCHEMBL31208574 0.78 CES1 (0.65) CES1POLBALDH1A1GAAL3MBTL1
SCHEMBL8208898 0.77 CES1 (0.81) CES1ALDH1A1NPC1RAB9ATDP1
SCHEMBL22309581 0.76 CES1 (0.62) CES1PLK1ALDH1A1MAPTLMNA
SCHEMBL18790471 0.76 CES1 (0.62) CES1ALDH1A1MAPTLMNATDP1

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