SCHEMBL8584572

SCHEMBL8584572

C=CC(CCCC)C(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.45
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TSHR P16473 1/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 2/20 0.38
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL13246467 0.92 GPR84 (0.50) GPR84FFAR1SLC1A2SLC1A1ZDHHC20
SCHEMBL29956768 0.79 CA2 (0.48) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL29957306 0.79 CA2 (0.48) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL323960 0.79 CA2 (0.48) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL28401842 0.78 TDP1 (0.43) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL11400488 0.78 CA2 (0.40) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL27358784 0.78 CA2 (0.47) CA2MAPK1GPR84FFAR1SLC1A3
Ethylene SCHEMBL12983468 0.78 CA2 (0.47) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL8925055 0.77 ACE2 (0.46) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL27672181 0.76 CA2 (0.54) CA2MAPK1GPR84FFAR1SLC1A3

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
US-5965524-A BIOSURFACTANTS, ANTIBACTERIAL, ANTIVIRAL AND ANTITRYPANOSOMAL THERAPEUTIC COMPOUNDS PEPTIDE TECHNOLOGIES CORPORATION (US) 1999-10-12 US disclosed
US-5169862-A Bactericides, viricides, antiprotozoa agents PEPTIDE TECHNOLOGIES CORPORATION (US) 1992-12-08 US disclosed