SCHEMBL7494802

SCHEMBL7494802

CCOC(=O)Cc1c(F)ccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
CYP1A2 P05177 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
SCHEMBL18758397 0.90 NLRP3 (0.40) NLRP3L3MBTL1GAAKDM4ELMNA
SCHEMBL6161648 0.88 MAPK1 (0.42) NLRP3L3MBTL1GAAKDM4ELMNA
SCHEMBL16964041 0.87 KMT2A (0.47) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL1867904 0.84 NLRP3 (0.54) NLRP3L3MBTL1GAAKDM4ELMNA
SCHEMBL3888694 0.83 KDM4E (0.45) NLRP3L3MBTL1GAAKDM4ELMNA
SCHEMBL7880397 0.83 KDM4E (0.48) NLRP3L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL22655985 0.81 SMN1; SMN2 (0.44) L3MBTL1GAALMNAALDH1A1HSD17B10
SCHEMBL1477877 0.81 PKM (0.44) NLRP3L3MBTL1TSHRMAPTKMT2A
SCHEMBL38652331 0.81 PKM (0.44) NLRP3L3MBTL1TSHRMAPTKMT2A
SCHEMBL12023029 0.79 NLRP3 (0.50) NLRP3L3MBTL1GAAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP disclosed
US-6117865-A FOR CONTROLLING FUNGUS IN PLANTS AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP disclosed
US-4935420-A MICROBIOCIDES, ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-19 US disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
US-4874764-A ANTIMICROBIALS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-10-17 US disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed