SCHEMBL8852080

SCHEMBL8852080

FC(F)(F)c1cccc(B(Cl)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.64
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.40
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL1469967 0.82 MGLL (0.69) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL27932331 0.79 MGLL (0.65) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL4995 0.78 MGLL (1.00) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL8852300 0.78 MGLL (0.64) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL20817222 0.77 CES2 (0.41) MGLLTSHRMAPK1CES2ALDH1A1
Nitrogen SCHEMBL26667006 0.76 TSHR (0.61) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL62723 0.75 TSHR (0.67) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL15976469 0.74 MGLL (0.58) MGLLTSHRMAPK1HTR3EHTR3B
SCHEMBL30252943 0.73 TSHR (0.64) MGLLTSHRMAPK1HTR3EHTR3B
Fluoride SCHEMBL30661872 0.73 TSHR (0.64) MGLLTSHRMAPK1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594079-A COORDINATION CATALYST CONTAINING BORON, STEREOREGULAR POLYPROPYLENE TOSOH CORPORATION (JP) 1997-01-14 US disclosed
EP-0582278-A2 Method for producing a polyolefin TOSOH CORPORATION (JP) 1994-02-09 EP disclosed