SCHEMBL7901918

SCHEMBL7901918

CCCCCCCCCOC(=O)C(CCCCC)NC(=O)O.CCCCCCCCCOC(=O)C(N)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 12/20 0.62
EPHX1 P07099 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
TLR2 O60603 1/20 0.39
NAAA Q02083 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39

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
SCHEMBL7900165 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7901620 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898723 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898771 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898785 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898338 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898233 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898225 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7901775 1.00 NOD1 (0.62) NOD1EPHX1GRIK1GRIK2GNAI3
SCHEMBL7898295 0.99 NOD1 (0.60) NOD1EPHX1GRIK1GRIK2GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187938-B1 TRANSDERMAL PENETRATION ENHANCERS BOCHEMIE, S.R.O. (CZ) 2001-02-13 US disclosed
EP-0973710-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE Bochemie S.R.O. (CZ) 2000-01-26 EP disclosed
WO-1998045233-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE BOCHEMIE S.R.O. (CZ) 1998-10-15 WO disclosed