SCHEMBL7586997

SCHEMBL7586997

CCC(C)(NC(=O)c1ccccc1O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
LMNA P02545 6/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 5/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 5/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MPO P05164 1/20 0.47
HIF1A Q16665 1/20 0.47
NAAA Q02083 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ESRRG P62508 1/20 0.45

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
SCHEMBL14036676 0.82 NPSR1 (0.60) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL28456818 0.80 POLB (0.57) HSD17B10ALDH1A1GAASMN1; SMN2NAAA
SCHEMBL27693288 0.79 CXCR2 (0.54) KDM4ELMNAALDH1A1HTTKMT2A
SCHEMBL7672296 0.78 KDM4E (0.59) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL7757842 0.78 KDM4E (0.59) KDM4ELMNAHPGDHSD17B10ALDH1A1
Bromide SCHEMBL6849900 0.76 KDM4E (0.57) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL27713026 0.76 KDM4E (0.73) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL28766910 0.76 KDM4E (0.52) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL27693293 0.76 KDM4E (0.52) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28857264 0.75 KDM4E (0.55) KDM4ELMNAHPGDHSD17B10ALDH1A1

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-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed