SCHEMBL8637700

SCHEMBL8637700

CCC(C)(C)c1ccc(Oc2ccc(O)c(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTPN1 P18031 1/20 0.48
ESRRA P11474 2/20 0.46
AR P10275 6/20 0.40
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
THRB P10828 1/20 0.36
MAOB P27338 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8637194 0.87 SHBG (0.46) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL8633319 0.85 ESRRA (0.54) NPC1RAB9AMAPTPOLBPTPN1
SCHEMBL8635974 0.83 ESRRA (0.46) ESRRAARTHRBLMNA
SCHEMBL16648399 0.81 ESRRA (0.49) ESRRAARALDH1A1THRB
SCHEMBL8635710 0.81 LTA4H (0.54) MAPTPTPN1ESRRAARATM
SCHEMBL12806832 0.80 NPC1 (0.68) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL8635438 0.79 LTA4H (0.50) RAB9AESRRAARL3MBTL1GAA
SCHEMBL8632738 0.78 LTA4H (0.57) ESRRAARTHRB
SCHEMBL8633573 0.78 LTA4H (0.57) ESRRAARATML3MBTL1GAA
SCHEMBL8635775 0.78 MAPT (0.45) NPC1RAB9AMAPTPOLBCYP2C9

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