SCHEMBL9268997

SCHEMBL9268997

CCN(CC)c1ccc2c(c1)C(=O)OC2c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTR2A P28223 5/20 0.37
HTR2C P28335 3/20 0.37
WDR5 P61964 1/20 0.37
HPGD P15428 2/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 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
SCHEMBL9096475 0.88 MMP2 (0.41) KDM4EHTR2AHTR2CWDR5HPGD
SCHEMBL30382857 0.80 MMP2 (0.41) KDM4EHTR2AHTR2CHPGDMAPT
SCHEMBL9110050 0.80 MMP2 (0.41) KDM4EHTR2AHTR2CHPGDMAPT
SCHEMBL3881114 0.79 ALDH1A1 (0.50) ALDH1A1HTR2AHTR2CWDR5HPGD
SCHEMBL30557434 0.79 ALDH1A1 (0.50) ALDH1A1HTR2AHTR2CWDR5HPGD
SCHEMBL11084097 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL27884544 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDGFER
SCHEMBL28995251 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ENPSR1HSD17B10HPGD
SCHEMBL338454 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL11066894 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMEN1

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-0680626-A1 PHOTOPOLYMERIZABLE COMPOSITION OF HIGH SENSITIVITY AND METHOD FOR OBTAINING IMAGES THEREWITH AGFA-GEVAERT N.V. (BE) 1995-11-08 EP disclosed
WO-1994017452-A1 PHOTOPOLYMERIZABLE COMPOSITION OF HIGH SENSITIVITY AND METHOD FOR OBTAINING IMAGES THEREWITH AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1994-08-04 WO disclosed