SCHEMBL1998119

SCHEMBL1998119

CCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
KDM4E B2RXH2 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CFTR P13569 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL1998616 0.88 CES2 (0.60) CES2KDM4EMRGPRX4HDAC3HDAC4
SCHEMBL10566215 0.86 MRGPRX4 (0.49) CES2KDM4EMRGPRX4TSHRMAPT
SCHEMBL11388348 0.85 CES2 (0.47) CES2KDM4EMRGPRX4HDAC3HDAC4
SCHEMBL987643 0.84 MRGPRX4 (0.51) CES2KDM4EMRGPRX4TSHRMAPT
SCHEMBL29891158 0.84 TSHR (0.52) CES2KDM4EHDAC3HDAC4HDAC1
SCHEMBL25963027 0.84 CA12 (0.64) CES2KDM4EMRGPRX4TSHRMAPT
SCHEMBL1671910 0.84 TSHR (0.52) CES2KDM4EHDAC3HDAC4HDAC1
SCHEMBL4691963 0.84 CA12 (0.50) CES2KDM4EMRGPRX4TSHRMAPT
SCHEMBL9229722 0.83 CYP4F2 (0.58) CES2KDM4EMRGPRX4TSHRMAPT
SCHEMBL2403072 0.83 ALDH1A1 (0.55) CES2KDM4EMRGPRX4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed