SCHEMBL2528862

SCHEMBL2528862

CC(C)CCOCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKCA P17252 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL1259887 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11737353 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11735533 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2527274 0.98 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2527388 0.91 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28540701 0.91 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2533553 0.91 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2523632 0.91 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13997537 0.88 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2528035 0.88 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT

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
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-4025641-A INSECTICIDES, ACARICIDES SANDOZ LTD. (CH) 1977-05-24 US disclosed