SCHEMBL9570834

SCHEMBL9570834

Fc1ccc(COCC(c2ccc(Br)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
POLB P06746 1/20 0.32
DUT P33316 1/20 0.32
NR3C1 P04150 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL9570877 0.92 DPP4 (0.33) TACR1POLBNR3C1ESR1ESR2
SCHEMBL9570700 0.91 PPARG (0.33) FFAR1ESR1ESR2
SCHEMBL9570621 0.91 PPARG (0.33) FFAR1ESR1ESR2
SCHEMBL9560935 0.91 LTA4H (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561512 0.90 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570788 0.89 RXRA (0.32) ESR1ESR2
SCHEMBL9560528 0.89 CETP (0.40) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570693 0.89 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561249 0.89 FFAR1 (0.40) TACR1SMN1; SMN2FFAR1LPAR1LPAR5
SCHEMBL9570632 0.89 DUT (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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