SCHEMBL8637516

SCHEMBL8637516

Oc1ccc(Oc2ccc(OCC(F)(F)F)cc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.43
AR P10275 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
GPR3 P46089 1/20 0.37
CETP P11597 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL16648399 0.86 ESRRA (0.49) ESRRAARALDH1A1
SCHEMBL8635710 0.86 LTA4H (0.54) ESRRAARALDH1A1MAPTKDM4E
SCHEMBL27396435 0.83 AR (0.40) ESRRAARLTA4H
SCHEMBL8633573 0.83 LTA4H (0.57) ESRRAARLTA4H
SCHEMBL8632738 0.83 LTA4H (0.57) ESRRAARMEN1KMT2ACETP
SCHEMBL8633068 0.81 AR (0.49) ESRRAARLTA4H
SCHEMBL8635974 0.81 ESRRA (0.46) ESRRAARKDM4ELMNALTA4H
SCHEMBL8635438 0.80 LTA4H (0.50) ESRRAARALDH1A1MEN1KMT2A
SCHEMBL8636426 0.80 ESRRA (0.45) ESRRAARMAPTMEN1KMT2A
SCHEMBL8632090 0.79 AR (0.47) ESRRAARALDH1A1MAPTMEN1

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-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
US-5530015-A Dihaloprene 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) 1996-06-25 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