SCHEMBL693667

SCHEMBL693667

O=C(O)CCCCCCCC(O)C(O)CCCCCCOC(=O)CCCCCCCC(O)C(O)CCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
ALDH1A1 P00352 1/20 0.41
DGKA P23743 1/20 0.40
CAMK2A Q9UQM7 1/20 0.39
NPC1 O15118 1/20 0.39
PTPN1 P18031 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
PAM P19021 2/20 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
SCHEMBL2357603 0.91 FFAR4 (0.51) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL24391123 0.91 FFAR4 (0.51) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL541443 0.90 DGKA (0.44) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL12922833 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL3505305 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7606824 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7033618 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL18710354 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL21114449 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7064050 0.88 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA

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-2421572-A2 SHELLAC AND PACLITAXEL COATED CATHETER BALLOONS Eurocor GmbH (DE) 2012-02-29 EP disclosed