SCHEMBL8714299

SCHEMBL8714299

CCCCCCCCC(O)C(=O)OCCCCCCO

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.52
NAAA Q02083 1/20 0.52
FFAR1 O14842 1/20 0.52
ACHE P22303 6/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL28359890 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
SCHEMBL12802821 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
SCHEMBL3804227 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
SCHEMBL5692272 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
SCHEMBL16275126 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
SCHEMBL442923 1.00 GPR84 (0.52) GPR84NAAAFFAR1ACHELMNA
Pentane SCHEMBL8332570 0.98 GPR84 (0.50) GPR84NAAAFFAR1ACHELMNA
SCHEMBL27844490 0.93 ACHE (0.49) GPR84NAAAFFAR1ACHEALDH1A1
SCHEMBL8573341 0.93 GPR84 (0.46) GPR84NAAAFFAR1ACHELMNA
Alcohol SCHEMBL29140150 0.93 GPR84 (0.55) GPR84NAAAFFAR1TSHREPHX1

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-5731388-A ACRYLATED POLYURETHANE TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1998-03-24 US disclosed
US-5591563-A POLYACRYLATED DIURETHANE, ACRYLOYLMORPHOLINE TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1997-01-07 US disclosed