SCHEMBL28092170

SCHEMBL28092170

CCCCC=C1C=COC1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PPARG P37231 2/20 0.34
TYR P14679 2/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.32
MGLL Q99685 2/20 0.31
PRKCA P17252 1/20 0.31
ABHD16A O95870 1/20 0.31
FAAH O00519 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
SCHEMBL663297 0.69 L3MBTL1 (0.49) NFKB1NFKB2RELAPPARGTYR
SCHEMBL462627 0.69 PPARG (0.33) NFKB1NFKB2RELAPPARGTYR
SCHEMBL28608917 0.67 NFKB1 (0.37) NFKB1NFKB2RELATSHRKDM4E
SCHEMBL4543141 0.66 MEN1 (0.46) TSHRKDM4ERAB9AL3MBTL1TRPA1
SCHEMBL4543140 0.66 MEN1 (0.46) TSHRKDM4ERAB9AL3MBTL1TRPA1
SCHEMBL29029409 0.66 TSHR (0.44) NFKB1NFKB2RELAPPARGTYR
SCHEMBL5824304 0.66 NFKB1 (0.50) NFKB1NFKB2RELATSHRKDM4E
SCHEMBL9279708 0.66 KDM4E (0.34) NFKB1NFKB2RELAPPARGTYR
SCHEMBL3473157 0.65
SCHEMBL664888 0.64 POLB (0.47) NFKB1NFKB2RELAPPARGTYR

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
CN-103946683-B Gas-liquid contact extraction method and device 株式会社岛津制作所 2016-12-07 CN disclosed