SCHEMBL9570660

SCHEMBL9570660

OCC(c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ACP3 P15309 1/20 0.41
HSD11B1 P28845 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
KIF11 P52732 1/20 0.39
MGLL Q99685 1/20 0.39
CNR2 P34972 1/20 0.38
PDE2A O00408 1/20 0.38
GSK3B P49841 2/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL9862583 1.00 ESR1 (0.44) ESR1ESR2CES2CES1ACP3
SCHEMBL9570892 0.84 ESR1 (0.42) ESR1ESR2CES2CES1PDE2A
SCHEMBL9570866 0.84 LMNA (0.44) ESR1ESR2PDE2A
SCHEMBL9570647 0.81 ESR1 (0.40) ESR1ESR2PDE2A
SCHEMBL9570698 0.81 ESR1 (0.46) ESR1ESR2
SCHEMBL9570735 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL9570823 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL9560934 0.79 ESR1 (0.44) ESR1ESR2MGLLCNR2
SCHEMBL9570729 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL22349242 0.78 ESR1 (0.42) ESR1ESR2ACP3

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 6 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-4988826-A Fluoroalkylstyrene derivatives as intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-29 US disclosed
US-4891450-A FLUORINE-CONTAINING ARYLALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-02 US disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0280383-A1 Process for intermediates for insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-31 EP 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