SCHEMBL7258076

SCHEMBL7258076

CCCCOC(=O)[C@](N)(CCCC(N)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
LNPEP Q9UIQ6 2/20 0.40
ERAP2 Q6P179 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
LTA4H P09960 2/20 0.38
KIF11 P52732 1/20 0.37
TYR P14679 2/20 0.37

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
SCHEMBL7133156 0.90 SMN1; SMN2 (0.43) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10703108 0.87 TSHR (0.40) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL10700924 0.84 LTA4H (0.45) ALDH1A1SMN1; SMN2HIF1ASLC1A3SLC1A1
SCHEMBL4061223 0.83 SIRT2 (0.44) ALDH1A1TYR
SCHEMBL10421087 0.83 SLC1A1 (0.46) SMN1; SMN2HIF1ASLC1A3SLC1A1LTA4H
SCHEMBL149592 0.83 ALDH1A1 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL27864459 0.82 LMNA (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL11011081 0.82 LTA4H (0.50) L3MBTL1ALDH1A1SMN1; SMN2HIF1ASLC1A3
SCHEMBL7266221 0.82 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7266217 0.82 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777679-B1 DELIVERY OF NUCLEIC ACIDS COMMW SCIENT IND RES ORG (AU) 2003-11-05 EP disclosed
US-5906922-A EXPOSING THE CELL WITH A PEPTIDENUCLEIC ACID; USEFUL FOR DELIVERING DNA OR RNA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-05-25 US disclosed
EP-0777679-A4 DELIVERY OF NUCLEIC ACIDS COMMW SCIENT IND RES ORG (AU) 1997-10-08 EP disclosed
EP-0777679-A1 DELIVERY OF NUCLEIC ACIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-06-11 EP disclosed
WO-1996005218-A1 DELIVERY OF NUCLEIC ACIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-02-22 WO disclosed