SCHEMBL409736

SCHEMBL409736

CCOc1ccc(C(COCc2cccc(Oc3ccc(Br)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.44
CETP P11597 4/20 0.42
LTA4H P09960 2/20 0.39
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL409247 0.92 FFAR1 (0.51) FFAR1CETPLTA4HACACBACACA
SCHEMBL9561406 0.92 FFAR1 (0.51) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570819 0.90 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570818 0.90 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570568 0.90 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570753 0.90 CETP (0.41) FFAR1CETPFFAR4
SCHEMBL118655 0.89 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA
SCHEMBL9570619 0.89 FFAR1 (0.44) FFAR1CETPLTA4HMRGPRX4
SCHEMBL9570636 0.89 FFAR1 (0.44) FFAR1CETPLTA4HMRGPRX4
SCHEMBL9862593 0.89 FFAR1 (0.44) FFAR1CETPLTA4HACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376219-B1 METHOD FOR CONTROLLING WATER EVAPORATION UNIV MELBOURNE (AU) 2018-03-14 EP disclosed
US-8696987-B2 Method for controlling water evaporation POLYMERS CRC LTD (AU) 2014-04-15 US disclosed
US-20120018387-A1 METHOD FOR CONTROLLING WATER EVAPORATION POLYMERS CRC LTD (AU) 2012-01-26 US disclosed
EP-2376219-A1 METHOD FOR CONTROLLING WATER EVAPORATION Polymers CRC Limited (AU) 2011-10-19 EP disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0415568-A2 Insecticidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed