SCHEMBL9712613

SCHEMBL9712613

FC(F)=CCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.44
GBA1 P04062 3/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 2/20 0.41
TEAD3 Q99594 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 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
SCHEMBL9712481 0.98 TSHR (0.45) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL31399566 0.84 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL31399445 0.84 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL31399582 0.84 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL31399430 0.84 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL31399488 0.84 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL15726949 0.83 L3MBTL1 (0.43) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL28119390 0.81 L3MBTL1 (0.50) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL10961339 0.81 L3MBTL1 (0.53) L3MBTL1TDP1TSHRGBA1UGCG
SCHEMBL20561263 0.81 L3MBTL1 (0.53) L3MBTL1TDP1TSHRGBA1UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed