SCHEMBL3389430

SCHEMBL3389430

[CH2][CH]CNCCCCC(N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.38
DPP7 Q9UHL4 2/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CPB2 Q96IY4 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC15A1 P46059 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
METAP2 P50579 4/20 0.32
METAP1 P53582 2/20 0.32
RRM1 P23921 1/20 0.31

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
SCHEMBL3393527 0.88 DPP7 (0.35) DPP7GNAI3GNAO1GNAI1SLC15A1
SCHEMBL3392593 0.83 MAOA (0.37) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL18235900 0.83 NOD1 (0.41) NOD1DPP7GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL7219533 0.82 NOD1 (0.38) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL23280941 0.81 NOD1 (0.40) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL3037714 0.79 NOD1 (0.38) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL18232440 0.79 NOD1 (0.39) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL27009299 0.78 DPP7 (0.42) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL17831009 0.78 LTA4H (0.44) NOD1DPP7
SCHEMBL13364051 0.75 GAA (0.39) NOD1DPP7GNAI3GNAO1GNAI1

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
EP-2184271-A1 Use of at least one lysine derivative for the conditioning of keratinic fibres, cosmetic composition containing it and process for the conditioning the fibres L'Oréal (FR) 2010-05-12 EP claimed
EP-2184271-A1 Use of at least one lysine derivative for the conditioning of keratinic fibres, cosmetic composition containing it and process for the conditioning the fibres L'Oréal (FR) 2010-05-12 EP disclosed