SCHEMBL13899686

SCHEMBL13899686

C=C(C)C(=O)OCCCCOc1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
POLB P06746 1/20 0.71
APEX1 P27695 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL12114905 0.98 HTT (0.74) HTTPOLBAPEX1TDP1TSHR
SCHEMBL12918799 0.98 HTT (0.74) HTTPOLBAPEX1TDP1TSHR
SCHEMBL4191440 0.97 HTT (0.67) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14700607 0.94 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL649098 0.92 HTT (0.60) HTTPOLBAPEX1TDP1L3MBTL1
SCHEMBL13572561 0.92 HTT (0.65) HTTPOLBAPEX1TDP1TSHR
SCHEMBL12768446 0.92 HTT (0.65) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13572562 0.92 HTT (0.65) HTTPOLBAPEX1TDP1TSHR
SCHEMBL12695672 0.92 HTT (0.73) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13572563 0.92 HTT (0.65) HTTPOLBAPEX1TDP1TSHR

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
US-7497970-B2 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-20070228325-A1 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed