SCHEMBL23829652

SCHEMBL23829652

C#CC(CCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL4301199 0.85
SCHEMBL11857802 0.83 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10804346 0.82 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6539103 0.81 MAPT (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL527476 0.79 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL970515 0.79 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL4002470 0.79 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10923278 0.79 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3167000 0.79 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL15452338 0.79 MAPT (0.47) MAPTMAPK1

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
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed