SCHEMBL4581476

SCHEMBL4581476

NCCCCC(CC(=O)O)C(CC(=O)O)(CC(=O)O)NCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
FOLH1 Q04609 1/20 0.36
CPB2 Q96IY4 2/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLG P00747 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
RECQL P46063 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 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
SCHEMBL8747255 0.89 GABRR1 (0.31) LMNAGABRR1
SCHEMBL6639635 0.83 GABRR1 (0.39) LMNAALDH1A1GABBR2GABRR1GABBR1
Water SCHEMBL8747201 0.82 GABRR1 (0.38) LMNAALDH1A1GABBR2GABRR1GABBR1
Ammonia Solution, Strong SCHEMBL9133439 0.82 GABRR1 (0.38) LMNAALDH1A1GABBR2GABRR1GABBR1
Ammonia Solution, Strong SCHEMBL9153449 0.82 GABRR1 (0.38) LMNAALDH1A1GABBR2GABRR1GABBR1
Ammonia Solution, Strong SCHEMBL8078632 0.80 GABRR1 (0.36) LMNAGABBR2GABRR1GABBR1
SCHEMBL5690748 0.80 GABRR1 (0.36) LMNAGABBR2GABRR1GABBR1
Ethylenediamine SCHEMBL3885443 0.73 CTH (0.33) LMNAGABRR1
SCHEMBL9810936 0.71 GABRR1 (0.32) LMNAGABRR1
SCHEMBL284822 0.71 TDP1 (0.34) LMNAGABRR1

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-20080153951-A1 Pressure sensitive; storage stability TESA AG (DE) 2008-06-26 US claimed
EP-1935956-A2 Repulpable adhesive Tesa AG (DE) 2008-06-25 EP claimed
EP-2740500-A2 Composition for use in the prophylaxis of post-surgical adhesions AESCULAP AG (DE) 2014-06-11 EP disclosed