SCHEMBL7262181

SCHEMBL7262181

Cc1cc(C)c(O)c(OCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCL1 Q07820 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL660036 0.84 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL2059355 0.77 CSNK2A2 (0.49) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL29200157 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL21254300 0.77 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL2113005 0.76 PTGDR2 (0.64) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL3064143 0.76 TSHR (0.70) KDM4EALDH1A1HSD17B10PTGDR2TDP1
SCHEMBL5588261 0.76 ALDH1A1 (0.42) KDM4EALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL6516217 0.76 HPGD (0.62) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL320418 0.74 PTGDR2 (0.66) KDM4EPTGDR2TDP1TSHRPOLB
SCHEMBL4364423 0.73 PTGDR2 (0.46) KDM4EALDH1A1HSD17B10HPGDPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed