SCHEMBL708178

SCHEMBL708178

CCC(=O)c1ccccc1[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HSP90AB1 P08238 1/20 0.44
TSHR P16473 3/20 0.43
PDK2 Q15119 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
ABCB1 P08183 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL13990159 0.85 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2MAPTHSP90AB1TSHR
SCHEMBL270136 0.78 GABRA1 (0.45) L3MBTL1SMN1; SMN2MAPTHSP90AB1TSHR
SCHEMBL30402144 0.77 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MAPTHSP90AB1TSHR
SCHEMBL29383556 0.77 HSP90AB1 (0.59) SMN1; SMN2MAPTHSP90AB1TSHRKMT2A
SCHEMBL4249140 0.77 ALDH1A1 (0.64) L3MBTL1SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL943719 0.77 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MAPTHSP90AB1TSHR
SCHEMBL31901342 0.77 ERCC5 (0.60) L3MBTL1SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL364889 0.77 ERCC5 (0.60) L3MBTL1SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL2633244 0.77 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2MAPTHSP90AB1TSHR
SCHEMBL111675 0.77 HSP90AB1 (0.59) SMN1; SMN2MAPTHSP90AB1TSHRKMT2A

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-8124414-B2 Taggants, method for forming a taggant, and a method for detecting an object BATTELLE ENERGY ALLIANCE, LLC (US) 2012-02-28 US disclosed
US-20110100091-A1 TAGGANTS, METHOD FOR FORMING A TAGGANT, AND A METHOD FOR DETECTING AN OBJECT BATTELLE ENERGY ALLIANCE, LLC (US) 2011-05-05 US disclosed
US-4912596-A Dielectric liquids BAYER AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed