SCHEMBL11083554

SCHEMBL11083554

CCCCCCCCC(N)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.55
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.47
TP53 P04637 1/20 0.47
OPRM1 P35372 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
LAP3 P28838 1/20 0.46
GPR84 Q9NQS5 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FFAR1 O14842 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
SCHEMBL17821260 1.00 NOD1 (0.55) NOD1GRIK1GRIK2GNAI3GNAO1
Hydrochloric Acid SCHEMBL11537647 0.98 NOD1 (0.53) NOD1GRIK1GRIK2GNAI3GNAO1
Hydrochloric Acid SCHEMBL2892786 0.98 NOD1 (0.53) NOD1GRIK1GRIK2GNAI3GNAO1
Hydrochloric Acid SCHEMBL8203130 0.98 NOD1 (0.53) NOD1GRIK1GRIK2GNAI3GNAO1
SCHEMBL11296849 0.98 NOD1 (0.52) NOD1GRIK1GRIK2GNAI3GNAO1
SCHEMBL7247852 0.92 NOD1 (0.50) NOD1GRIK1GRIK2TP53CPB2
SCHEMBL27827672 0.92 NOD1 (0.50) NOD1GRIK1GRIK2TP53CPB2
SCHEMBL6589774 0.92 NOD1 (0.50) NOD1GRIK1GRIK2TP53CPB2
Hydrochloric Acid SCHEMBL6843156 0.90 NOD1 (0.49) NOD1GRIK1GRIK2TP53CPB2
Hydrochloric Acid SCHEMBL5906900 0.90 NOD1 (0.49) NOD1GRIK1GRIK2TP53CPB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
US-4289707-A Nitrogen heterocycles BURROUGHS WELLCOME CO. (US) 1981-09-15 US disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed
US-4204068-A Nitrogen heterocycles BURROUGHS WELLCOME CO. (US) 1980-05-20 US disclosed