SCHEMBL9837979

SCHEMBL9837979

CCCCCCCCCCCC(CC1=CC(=O)OC1O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
PDCD4 Q53EL6 5/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 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
SCHEMBL8985173 0.86 CA1 (0.42) PDCD4CA2
SCHEMBL7296014 0.72 PDCD4 (0.47) PDCD4
Benzene SCHEMBL14691483 0.69 GRIK1 (0.63) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25293689 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25293243 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25292827 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25286591 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25292005 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25295689 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL25286597 0.69 GRIK1 (0.68) GRIK1GRIK2SLC1A2SLC1A1CA2

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-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US disclosed
EP-0369812-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed