SCHEMBL3244305

SCHEMBL3244305

CC(CC(=O)O)CC(C)(C)C.CCCCCCCC(CCCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.49
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
ACE2 Q9BYF1 1/20 0.47
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MMP2 P08253 5/20 0.45
MMP3 P08254 5/20 0.45
MMP1 P03956 3/20 0.45
MMP7 P09237 1/20 0.45
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL16338274 0.95 CHRM1 (0.48) GPR84GRIK1GRIK2ACE2SLC1A2
2-Ethylhexanoic Acid SCHEMBL503469 0.88 CA2 (0.62) GPR84GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL8358546 0.87 ACE2 (0.54) GPR84GRIK1GRIK2ACE2SLC1A2
SCHEMBL6689464 0.87 ACE2 (0.58) GPR84GRIK1GRIK2ACE2SLC1A2
2-Ethylhexanoic Acid SCHEMBL14956430 0.85 CA2 (0.59) GPR84GRIK1GRIK2SLC1A2SLC1A1
Octanoic Acid SCHEMBL9562927 0.84 GPR84 (0.57) GPR84MMP2FFAR1MAPT
Heptanoate SCHEMBL7594605 0.84 GPR84 (0.57) GPR84MMP2FFAR1MAPT
SCHEMBL19267595 0.83 GRIK1 (0.59) GPR84GRIK1GRIK2ACE2SLC1A2
SCHEMBL28632498 0.83 GRIK1 (0.59) GPR84GRIK1GRIK2ACE2SLC1A2
SCHEMBL11339081 0.83 GRIK1 (0.59) GPR84GRIK1GRIK2ACE2SLC1A2

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
EP-1844761-B1 Cosmetic or pharmaceutical composition comprising a condensation polymer, cosmetic treatment method employing said composition, said condensation polymer and preparation method OREAL (FR) 2010-05-19 EP claimed