SCHEMBL20419792

SCHEMBL20419792

C=CC(=O)Oc1cc(CCC(=O)Oc2ccc(-c3ccc(OC(=O)C(C)C)cc3)cc2)ccc1OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
ALOX15 P16050 5/20 0.41
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 1/20 0.35
CCR5 P51681 1/20 0.33
ELANE P08246 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL21556860 0.94 ADRB2 (0.47) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL18459383 0.93 ADRB2 (0.39) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL17754307 0.92 THRB (0.44) ALOX15THRBKMT2AMAPTAKR1C3
SCHEMBL20414524 0.92 THRB (0.44) ALOX15THRBKMT2AMAPTAKR1C3
SCHEMBL17461532 0.88 THRB (0.47) ALOX15THRBKMT2AMAPTAKR1C3
SCHEMBL17461533 0.88 THRB (0.47) ALOX15THRBKMT2AMAPTAKR1C3
SCHEMBL19600927 0.88 THRB (0.39) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL17461518 0.88 THRB (0.41) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL19524234 0.88 KMT2A (0.45) THRBKMT2AMAPTAKR1C3CCR5
SCHEMBL17754358 0.88 KMT2A (0.41) ALOX15THRBKMT2AMAPTAKR1C3

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-20180208846-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME DIC CORPORATION (JP) 2018-07-26 US disclosed