SCHEMBL8998085

SCHEMBL8998085

O=C(Nc1cc(OC(=O)Oc2cc(NC(=O)OCC(F)(F)F)c(F)cc2Cl)c(Cl)cc1F)OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PYGL P06737 1/20 0.37
SLC13A3 Q8WWT9 1/20 0.36
MAPK1 P28482 1/20 0.34
DHODH Q02127 6/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
GPR35 Q9HC97 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9407131 0.84 ALDH1A1 (0.48) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL9427678 0.82 ALDH1A1 (0.52) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL9426916 0.81 MEN1 (0.52) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL8998053 0.81 ALDH1A1 (0.48) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL8760807 0.81 POLB (0.43) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL9407130 0.80 L3MBTL1 (0.62) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL8998079 0.80 LMNA (0.39) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL8083816 0.80 ALDH1A1 (0.46) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL9427481 0.79 LMNA (0.39) LMNAALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL9427405 0.79 NPC1 (0.49) L3MBTL1POLBMEN1KMT2ASMN1; SMN2

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
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed