SCHEMBL28631010

SCHEMBL28631010

C=CCOOC(CCCCCCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA1 P00915 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL28662464 0.94 TSHR (0.40) TSHRGPR84FFAR1MAPTLCK
SCHEMBL28611974 0.84 TSHR (0.47) TSHRGPR84FFAR1MAPTLCK
SCHEMBL30462353 0.81 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29117104 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL15282661 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8343232 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7933377 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1276326 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27531974 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3262845 0.80 SMN1; SMN2 (0.34) TSHR

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-113402677-A Thermosetting resin composition 昭和电工株式会社 2021-09-17 CN disclosed