SCHEMBL8633573

SCHEMBL8633573

CCCCOc1ccc(Oc2ccc(O)c(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
NR5A1 Q13285 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ESRRA P11474 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
AR P10275 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL8632738 0.94 LTA4H (0.57) LTA4HTHRATHRBESRRAAR
SCHEMBL8635710 0.88 LTA4H (0.54) LTA4HESRRAATML3MBTL1AR
SCHEMBL25797626 0.87 THRA (0.57) LTA4HNR5A1THRATHRBGAA
SCHEMBL27396435 0.85 AR (0.40) LTA4HTHRATHRBESRRAAR
SCHEMBL8637516 0.83 ESRRA (0.43) LTA4HESRRAAR
SCHEMBL16648399 0.82 ESRRA (0.49) THRATHRBESRRAAR
SCHEMBL8635438 0.80 LTA4H (0.50) LTA4HESRRAGAAL3MBTL1AR
SCHEMBL8635519 0.79 LTA4H (0.43) LTA4HTHRATHRBPTGESALOX5
SCHEMBL8637700 0.78 NPC1 (0.53) THRBESRRAGAAXBP1ATM
SCHEMBL8634042 0.78 MAPK1 (0.51) LTA4HL3MBTL1ARPDK2

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
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed