SCHEMBL19624604

SCHEMBL19624604

C=C(C)C(=O)OCCc1cc(OCCO)ccc1-c1ccc2cc(C3CCC(C)CC3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CSF1R P07333 2/20 0.33
ABL1 P00519 1/20 0.33
RAB9A P51151 1/20 0.32
CA1 P00915 3/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CA2 P00918 2/20 0.31
FASN P49327 1/20 0.31
SRD5A2 P31213 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL19804784 0.92 FFAR4 (0.39) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19804615 0.89 FFAR4 (0.39) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19797145 0.88 RAB9A (0.34) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL22030366 0.86 CSF1R (0.34) POLBAPEX1HTTTDP1CSF1R
SCHEMBL19804634 0.85 FFAR4 (0.44) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19796882 0.84 RAB9A (0.34) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19804148 0.83 FFAR4 (0.44) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19804822 0.83 FFAR4 (0.43) FFAR4MMP1MMP2MMP3MMP9
SCHEMBL19804190 0.82 POLB (0.39) POLBAPEX1HTTTDP1ABL1
SCHEMBL19804483 0.82 FFAR4 (0.40) FFAR4MMP1MMP2MMP3MMP9

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