SCHEMBL19624586

SCHEMBL19624586

C=C(C)C(=O)OCCc1cc(C2CCC(c3ccc(-c4ccc(OCCO)cc4)c(C)c3)CC2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.41
MMP3 P08254 7/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 3/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
RAB9A P51151 1/20 0.33
CSF1R P07333 1/20 0.33
FASN P49327 2/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL19797138 0.89 RAB9A (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804812 0.87 MMP2 (0.43) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804148 0.86 FFAR4 (0.44) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804822 0.85 FFAR4 (0.43) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804483 0.84 FFAR4 (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804513 0.82 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796879 0.81 RAB9A (0.39) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19797121 0.81 RAB9A (0.38) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804777 0.80 FFAR4 (0.45) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804634 0.80 FFAR4 (0.44) MMP2MMP3MMP1MMP9MMP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656757-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2020-05-27 EP disclosed
EP-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP disclosed