SCHEMBL7632982

SCHEMBL7632982

CC(C)=CCOCCCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 4/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
LSS P48449 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALOX15 P16050 3/20 0.32
CYP3A4 P08684 2/20 0.32
BTN3A1 O00481 1/20 0.31
ALDH1A1 P00352 2/20 0.31
UGT1A1 P22309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13852664 0.98 MEN1 (0.39) SQLEMEN1KMT2AMAPTTHRB
SCHEMBL21500419 0.93 SQLE (0.38) SQLEMEN1KMT2AMAPTTHRB
SCHEMBL29776230 0.88 LSS (0.41) MEN1KMT2AMAPTTHRBHTT
1,4-Butanediol SCHEMBL867063 0.88 SQLE (0.43) SQLEMEN1KMT2AMAPTTSHR
SCHEMBL1076413 0.83
SCHEMBL1150489 0.82 LSS (0.49) MEN1KMT2AMAPTTHRBHTT
SCHEMBL15851472 0.82 SQLE (0.64) SQLEMEN1KMT2AMAPTLSS
Pentane SCHEMBL28776059 0.80 LSS (0.47) MEN1KMT2AMAPTTHRBHTT
SCHEMBL29048956 0.80 LSS (0.51) MEN1KMT2AMAPTTHRBHTT
SCHEMBL9396040 0.80 LSS (0.51) MEN1KMT2AMAPTTHRBHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888270-B1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2002-04-17 EP disclosed
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
EP-0888270-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-07 EP disclosed
WO-1997028112-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-07 WO disclosed