SCHEMBL21083151

SCHEMBL21083151

C=C(C)C(=O)OCCc1ccc(-c2ccc(CCOC(=O)C(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TSHR P16473 3/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP12 P39900 3/20 0.35
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 1/20 0.33
MET P08581 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
SCHEMBL10457799 0.91 THRB (0.50) THRBTSHRACACBACACAPOLB
SCHEMBL11921516 0.86 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL146127 0.85 FFAR1 (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL22566492 0.84 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL20807028 0.84 POLB (0.53) THRBTSHRACACBACACAPOLB
SCHEMBL20733441 0.83 CA1 (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL18468326 0.83 LMNA (0.41) ACACBACACAPOLBAPEX1HTT
SCHEMBL2602559 0.82 THRB (0.46) THRBTSHRACACBACACAPOLB
SCHEMBL12092909 0.82 ELANE (0.47) THRBTSHRACACBACACAPOLB
SCHEMBL18522592 0.82 SMN1; SMN2 (0.52) THRBACACBACACAPOLBAPEX1

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
EP-3173457-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DAINIPPON INK & CHEMICALS (JP) 2019-06-05 EP disclosed