SCHEMBL8368113

SCHEMBL8368113

CCCCCCCCCCCCCCCC1(C(=O)O)CCCO1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SCN2A Q99250 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
SIRT2 Q8IXJ6 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
SCHEMBL3260514 0.88 ALDH1A1 (0.38)
Palmoxirate SCHEMBL1579204 0.80 GPR84 (0.40)
SCHEMBL11464015 0.80 GPR84 (0.40)
SCHEMBL2109987 0.80 GPR84 (0.40)
SCHEMBL2109685 0.80 GPR84 (0.40)
SCHEMBL2108730 0.80 GPR84 (0.40)
SCHEMBL2110326 0.80 GPR84 (0.40)
SCHEMBL2108728 0.80 GPR84 (0.40)
SCHEMBL2109983 0.80 GPR84 (0.40)
SCHEMBL2110319 0.80 GPR84 (0.40)

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
JP-11029563-A None JP disclosed
JP-H1129563-A NEW SUBSTANCE OF HETEROMONOCYCLIC CARBOXYLIC ACID ESTERS, HAIR TONIC COMPOSITION USING THE SAME AND HAIR TONIC COMPOSITION CONTAINING ANALOGIC COMPOUNDS OF THE SAME MANDOM CORP 1999-02-02 JP disclosed