SCHEMBL9627772

SCHEMBL9627772

O=C(Cc1cccc2c1Cc1ccccc1-2)Oc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccc(OC(=O)Cc3cccc4c3Cc3ccccc3-4)cc2)c2ccc(OC(=O)Cc3cccc4c3Cc3ccccc3-4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MMP2 P08253 6/20 0.33
▸ MMP12 P39900 5/20 0.33
▸ MMP9 P14780 4/20 0.33
▸ MMP13 P45452 4/20 0.33
▸ MMP14 P50281 4/20 0.33
▸ MMP3 P08254 3/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MMP8 P22894 5/20 0.32
▸ MMP16 P51512 3/20 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
Trifluoromethanesulfonic Acid SCHEMBL9627759 0.82 PNMT (0.38) PNMTTDP1L3MBTL1SIRT5MMP2
SCHEMBL28167227 0.71 PNMT (0.50) PNMTL3MBTL1ALDH1A1GAAHTR7
SCHEMBL14674148 0.71 MAPT (0.53) TDP1KDM4EALDH1A1LMNAGAA
SCHEMBL3421884 0.71 MAPT (0.53) TDP1KDM4EALDH1A1LMNAGAA
SCHEMBL14249761 0.70 PNMT (0.54) PNMTKDM4EALDH1A1GAAHTR7
SCHEMBL21437933 0.70 PNMT (0.54) PNMTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL27813798 0.69 PNMT (0.50) PNMTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL225715 0.69 PNMT (0.60) PNMTTDP1HTR7HTR2BNPC1
SCHEMBL1568269 0.67 PNMT (0.60) PNMTKDM4EALDH1A1HTR7HTR2B
SCHEMBL31026685 0.66 PNMT (0.55) PNMTTDP1L3MBTL1KDM4EALDH1A1

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-5159088-A Photinitiators for cationic polymerization BASF AKTIENGESELLSCHAFT (DE) 1992-10-27 — — US disclosed
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