SCHEMBL27464481

SCHEMBL27464481

CCCCCCCCCCCCCCCCCC1(OC(=O)O)OO1.[Zn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11603667 0.79 NAAA (0.34) ALDH1A1EPHX1
SCHEMBL27703237 0.75 TSHR (0.36) TSHR
SCHEMBL9842536 0.75 EPHX1 (0.31) EPHX1
SCHEMBL28634961 0.73 TSHR (0.38) TSHR
SCHEMBL6901760 0.73 TSHR (0.38) TSHR
SCHEMBL9586250 0.72 GPR84 (0.38) GPR84PPARGPPARDPPARAHDAC11
Tetradecane SCHEMBL14150228 0.71 EPHX1 (0.56) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL4787327 0.71 EPHX1 (0.56) GPR84PPARGPPARDPPARAHDAC11
Octane SCHEMBL4939049 0.71 EPHX1 (0.56) GPR84PPARGPPARDPPARAHDAC11
Decane SCHEMBL14150227 0.71 EPHX1 (0.56) GPR84PPARGPPARDPPARAHDAC11

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-1152916-C Oil filling copolymer as spongy 住友化学工业株式会社 2004-06-09 CN disclosed