SCHEMBL21784948

SCHEMBL21784948

CCCCc1ccc(C(=O)C(OC)(OC)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
CES1 P23141 1/20 0.53
RARB P10826 6/20 0.50
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.91 CES1 (0.56) PLK1CES1THRBTRPV1ALDH1A1
SCHEMBL18790834 0.86 CES1 (0.57) PLK1CES1MEN1KMT2A
SCHEMBL21784944 0.84 CES1 (0.59) PLK1CES1ALDH1A1HPGD
SCHEMBL18790833 0.81 CES1 (0.59) CES1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10001142 0.77 RARB (0.59) PLK1RARBTHRATHRBTRPV1
SCHEMBL10712337 0.77 RARB (0.54) RARBTHRATHRBALDH1A1MEN1
SCHEMBL195630 0.76 RARB (0.57) PLK1RARBTHRATHRBTRPV1
SCHEMBL81096 0.76 RARB (0.57) PLK1RARBTHRATHRBTRPV1
SCHEMBL3266774 0.76 MLYCD (0.58) PLK1RARBTHRATHRBTRPV1
SCHEMBL31208574 0.75 CES1 (0.65) CES1ALDH1A1HPGDMEN1MAPT

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