SCHEMBL9570877

SCHEMBL9570877

Fc1ccc(C(COCc2ccc(F)c(Oc3ccc(Br)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
TACR1 P25103 1/20 0.33
MAOB P27338 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A4 P31645 1/20 0.31
NR3C1 P04150 1/20 0.30
POLB P06746 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
SCHEMBL9570621 0.92 PPARG (0.33) MAOBESR1ESR2SLC6A4
SCHEMBL9570834 0.92 TACR1 (0.34) TACR1ESR1ESR2NR3C1POLB
SCHEMBL9570700 0.92 PPARG (0.33) MAOBESR1ESR2SLC6A4
SCHEMBL9570788 0.90 RXRA (0.32) ESR1ESR2
SCHEMBL9560935 0.90 LTA4H (0.36) TACR1ESR1ESR2SLC6A4
SCHEMBL9561457 0.89 CACNA1C (0.36) MAOBSLC6A4
SCHEMBL9570793 0.89 TACR1 (0.39) TACR1MAOBSLC6A4
SCHEMBL9570783 0.87 CACNA1C (0.42) TACR1SLC6A4POLB
SCHEMBL9570677 0.85 HTR2A (0.39) TACR1ESR1ESR2SLC6A4
SCHEMBL9570717 0.83 CETP (0.40) TACR1MAOB

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