SCHEMBL19624632

SCHEMBL19624632

C=C(C)C(=O)OCc1cc(S)ccc1-c1ccc(-c2ccc(OCCO)cc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
FFAR1 O14842 4/20 0.35
GSTP1 P09211 5/20 0.35
ALDH2 P05091 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
HSD17B1 P14061 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
PPARG P37231 2/20 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
SCHEMBL19804711 0.88 PTGER1 (0.44) POLBAPEX1HTTTDP1ACACB
SCHEMBL19804124 0.85 FFAR4 (0.43) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19796946 0.83 RARB (0.44) ACACBACACAFFAR1ALDH2FFAR4
SCHEMBL19804173 0.83 TDP1 (0.43) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804563 0.81 PPARG (0.40) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19796348 0.80 ALDH1A1 (0.42) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804604 0.79 POLB (0.44) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804681 0.79 POLB (0.44) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804382 0.78 POLB (0.44) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19796416 0.77 ALDH1A1 (0.42) POLBAPEX1HTTTDP1ACACB

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-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP disclosed