SCHEMBL8405795

SCHEMBL8405795

CC(C)OC(=O)c1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLAU P00749 1/20 0.39
GAA P10253 1/20 0.39
PPARD Q03181 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL8408614 0.86 MAPT (0.60) CA12CA1CA2CA7CA9
SCHEMBL8658181 0.83 HTT (0.41) CA12CA1CA2CA7CA9
SCHEMBL8895175 0.81 LTB4R (0.47) L3MBTL1GAAMAPK1PLA2G4BRARB
SCHEMBL8408530 0.81 PLAU (0.44) MAPTL3MBTL1PLAUPPARDMAPK1
SCHEMBL8408457 0.80 LTA4H (0.47) MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL7412748 0.80 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL8657247 0.79 PLAU (0.44) MAPTL3MBTL1PLAURAB9AALDH1A1
SCHEMBL8408824 0.77 MAPT (0.49) TSHRMAPTL3MBTL1PPARDMAPK1
SCHEMBL8656340 0.76 DRD4 (0.42) MAPTRAB9AALDH1A1
SCHEMBL8895486 0.76 NPC1 (0.52) MAPTRAB9AALDH1A1

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
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed