SCHEMBL9570878

SCHEMBL9570878

Fc1ccc(COCC(c2ccc3c(c2)CCCC3)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
TACR1 P25103 6/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
DUT P33316 1/20 0.32
FFAR1 O14842 1/20 0.31
CETP P11597 1/20 0.31
RXRB P28702 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30
RXRA P19793 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL9560456 0.99 MAPK14 (0.35) MAPK14TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570666 0.87 TACR1 (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570782 0.86 GRM5 (0.33) FFAR1
SCHEMBL9560935 0.85 LTA4H (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570707 0.85 CETP (0.40) MAPK14TACR1FFAR1CETP
SCHEMBL9561512 0.84 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570739 0.84 FFAR1 (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570874 0.84 TACR1 (0.39) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9560528 0.83 CETP (0.40) MAPK14TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9561249 0.83 FFAR1 (0.40) TACR1FFAR1

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-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-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