SCHEMBL8633867

SCHEMBL8633867

CCOc1ccc(Oc2ccc(O)c(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.61
NQO1 P15559 1/20 0.50
PTPN1 P18031 1/20 0.48
ESR1 P03372 3/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ESR2 Q92731 2/20 0.43
AR P10275 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3720970 0.89 NQO1 (0.52) LTA4HNQO1ESR1ALDH1A1MAPT
SCHEMBL30058647 0.84 TP53 (0.54) ESR1ALDH1A1MAPTHSD17B10ESR2
SCHEMBL135848 0.84 TP53 (0.54) ESR1ALDH1A1MAPTHSD17B10ESR2
SCHEMBL8632740 0.81 ESRRA (0.61) LTA4HNQO1PTPN1ALDH1A1MAPT
SCHEMBL9623629 0.81 ESR1 (0.58) LTA4HESR1ESR2TDP1MEN1
SCHEMBL3365127 0.81 LTA4H (0.56) LTA4HESR1ESR2TDP1MEN1
SCHEMBL8636430 0.81 LTA4H (0.59) LTA4HNQO1PTPN1ESR1ALDH1A1
SCHEMBL8635710 0.80 LTA4H (0.54) LTA4HNQO1PTPN1ALDH1A1MAPT
SCHEMBL4101422 0.79 LTA4H (0.54) LTA4HESR1ESR2TDP1TSHR
SCHEMBL8635703 0.79 LTA4H (0.58) LTA4HPTPN1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080251-C Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use inproduct of said dihalopropene compounds SUMITOMO CHEMICAL CO (JP) 2002-03-06 CN disclosed
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