SCHEMBL8998061

SCHEMBL8998061

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CUL4A Q13619 1/20 0.34
RORC P51449 1/20 0.33
PPOX P50336 1/20 0.33
DHODH Q02127 5/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9835963 0.91 RORC (0.39) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998058 0.90 LMNA (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998070 0.90 L3MBTL1 (0.46) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998044 0.89 ALDH1A1 (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998049 0.89 ALDH1A1 (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9620075 0.84 SCN9A (0.41) RORCPPOXDHODHRECQL
SCHEMBL9407131 0.83 ALDH1A1 (0.48) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9427372 0.83 LMNA (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9835450 0.81 NPSR1 (0.43) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8083816 0.81 ALDH1A1 (0.46) ALDH1A1LMNATSHRNPSR1L3MBTL1

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