SCHEMBL14160643

SCHEMBL14160643

COC(=O)c1cc(C)c(O)c(CCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 3/20 0.49
XDH P47989 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP4A11 Q02928 4/20 0.46
CYP4F2 P78329 3/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46

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
SCHEMBL11981633 0.87 KDM4E (0.52) KDM4EXDHLMNAGAATDP1
SCHEMBL642906 0.86 KDM4E (0.47) KDM4EXDHLMNAGAATDP1
SCHEMBL10091823 0.85 KDM4E (0.53) KDM4EXDHLMNAGAATDP1
SCHEMBL641804 0.83 CA12 (0.53) KDM4EXDHLMNAGAATDP1
SCHEMBL198717 0.80 KDM4E (0.65) KDM4EXDHLMNAGAATDP1
SCHEMBL28363329 0.79 ALDH1A1 (0.57) NPC1KDM4EXDHLMNAGAA
SCHEMBL642611 0.78 KDM4E (0.46) KDM4EXDHLMNAGAATDP1
SCHEMBL642802 0.78 CA12 (0.47) KDM4EXDHLMNAGAATDP1
SCHEMBL10091807 0.77 CA12 (0.46) KDM4EXDHLMNAGAATDP1
SCHEMBL644750 0.77 KDM4E (0.45) KDM4EXDHLMNAGAATDP1

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
WO-2008067055-A2 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-06-05 WO disclosed