SCHEMBL8225541

SCHEMBL8225541

CC#COc1cc(Cl)ccc1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGES O14684 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 4/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SRC P12931 1/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL3794601 0.84 L3MBTL1 (0.53) ALDH1A1L3MBTL1TDP1PTGESSMN1; SMN2
SCHEMBL13938554 0.79 PTGES (0.56) ALDH1A1L3MBTL1TDP1PTGESSMN1; SMN2
SCHEMBL17546739 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1SMN1; SMN2GLA
SCHEMBL5477791 0.75 ALDH1A1 (0.68) ALDH1A1L3MBTL1TDP1SMN1; SMN2GLA
SCHEMBL3781671 0.75 MAPT (0.54) ALDH1A1L3MBTL1TDP1SMN1; SMN2MEN1
SCHEMBL8347835 0.74 KDM4E (0.59) ALDH1A1L3MBTL1TDP1SMN1; SMN2GLA
SCHEMBL10509085 0.73 SLC6A2 (0.44) ALDH1A1L3MBTL1TDP1KMT2ARAB9A
SCHEMBL8223058 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1PTGESSMN1; SMN2
SCHEMBL3785269 0.72 CYP1A2 (0.58) ALDH1A1L3MBTL1TDP1SMN1; SMN2GLA
SCHEMBL3787403 0.72 MAPT (0.58) ALDH1A1L3MBTL1TDP1SMN1; SMN2GLA

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-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed