SCHEMBL7416228

SCHEMBL7416228

O=C(O)CCCC(F)C(F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
FOLH1 Q04609 3/20 0.42
ENPEP Q07075 2/20 0.42
GSTK1 Q9Y2Q3 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
CYP1A2 P05177 3/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38

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
SCHEMBL27565723 0.85 FOLH1 (0.39) LMNASLC22A6FOLH1ENPEPGSTK1
SCHEMBL9456136 0.81 LMNA (0.48) LMNASLC22A6FOLH1ENPEPGSTK1
SCHEMBL3371717 0.79 MAPT (0.34) GSRGABRR1
Hydrochloric Acid SCHEMBL11748274 0.77 MAPT (0.33) LMNAPMP22GSRBLM
SCHEMBL3367886 0.77 MAPT (0.38) GSR
SCHEMBL7388367 0.77 ENPEP (0.52) LMNASLC22A6ENPEPGSTK1TSHR
SCHEMBL18334377 0.76 MAPT (0.56) LMNASLC22A6FOLH1ENPEPGSTK1
SCHEMBL18334378 0.76 MAPT (0.56) LMNASLC22A6FOLH1ENPEPGSTK1
SCHEMBL25269390 0.76 MAPT (0.41) GSR
SCHEMBL3365115 0.76 MAPT (0.41) GSR

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
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed