SCHEMBL27468792

SCHEMBL27468792

NCC(=O)CCC(=O)OC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
GABRR1 P24046 1/20 0.54
HTR2C P28335 1/20 0.44
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL15345266 0.87 KDM4E (0.62) KDM4ELMNAGABRR1HTR2CGLRA1
SCHEMBL27804583 0.87 KDM4E (0.62) KDM4ELMNAGABRR1HTR2CGLRA1
SCHEMBL5664524 0.83 KDM4E (0.58) KDM4ELMNAGABRR1HTR2CGLRA1
SCHEMBL3622179 0.82 ALDH1A1 (0.45) LMNAALDH1A1TSHRKDM6BKDM5C
SCHEMBL28419062 0.79 KDM4E (0.59) KDM4ELMNAGABRR1HTR2CALDH1A1
SCHEMBL3335940 0.78 ALDH1A1 (0.46) KDM4ELMNAHTR2CALDH1A1TSHR
SCHEMBL28498302 0.77 KDM4E (0.52) KDM4ELMNAGABRR1HTR2CALDH1A1
SCHEMBL27696082 0.77
SCHEMBL115119 0.76
SCHEMBL28900079 0.76 KDM4E (0.50) KDM4ELMNAGABRR1HTR2CALDH1A1

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
CN-1178521-A Esters of 5-aminolevulinic acid as photosensitizers in photochemotherapy NORWEGIAN RADIUM HOSPITAL RESE (NO) 1998-04-08 CN claimed
CN-1137087-C Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy �Ƹ��� 2004-02-04 CN disclosed
CN-1178521-A Esters of 5-aminolevulinic acid as photosensitizers in photochemotherapy NORWEGIAN RADIUM HOSPITAL RESE (NO) 1998-04-08 CN disclosed