SCHEMBL28080269

SCHEMBL28080269

C=CCOCC=C.CCCCC(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.56
FFAR1 O14842 1/20 0.56
TSHR P16473 2/20 0.41
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
TET3 O43151 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35

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
Ethylene SCHEMBL11226562 0.81 GPR84 (0.75) GPR84FFAR1CA2MAPK1TET2
SCHEMBL360108 0.81
Hydrogen Peroxide SCHEMBL27840097 0.81 GPR84 (0.82) GPR84FFAR1CA2MAPK1TET2
SCHEMBL28555 0.81
SCHEMBL4378353 0.81
SCHEMBL26184961 0.81 GPR84 (0.82) GPR84FFAR1CA2MAPK1TET2
SCHEMBL9808671 0.79 GPR84 (0.47) GPR84FFAR1TSHRCA2ALDH1A1
SCHEMBL28425913 0.79 GPR84 (0.78) GPR84FFAR1CA2MAPK1ACHE
SCHEMBL28848609 0.79 GPR84 (0.78) GPR84FFAR1CA2MAPK1TET2
SCHEMBL28800209 0.79 GPR84 (0.78) GPR84FFAR1CA2MAPK1TET2

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
CN-105814127-B Reactive functional group silicone composition 迈图高新材料股份有限公司 2019-07-26 CN disclosed
CN-105814127-A Reactive functional siloxane compositions 迈图高新材料股份有限公司 2016-07-27 CN disclosed