SCHEMBL8998053

SCHEMBL8998053

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 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
SCHEMBL9407130 0.89 L3MBTL1 (0.62) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL9427678 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL9407131 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL8998085 0.81 LMNA (0.38) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL9426916 0.80 MEN1 (0.52) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL8760807 0.80 POLB (0.43) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL8998079 0.79 LMNA (0.39) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL8083816 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL9427481 0.78 LMNA (0.39) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL9427488 0.78 LMNA (0.39) ALDH1A1L3MBTL1LMNANPSR1TSHR

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