SCHEMBL8998070

SCHEMBL8998070

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL8998061 0.90 ALDH1A1 (0.35) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL8998058 0.87 LMNA (0.34) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9407130 0.84 L3MBTL1 (0.62) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9835963 0.81 RORC (0.39) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9427372 0.80 LMNA (0.34) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL8998049 0.79 ALDH1A1 (0.34) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL8998044 0.79 ALDH1A1 (0.34) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9835450 0.78 NPSR1 (0.43) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9427678 0.78 ALDH1A1 (0.52) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9836348 0.77 RORC (0.37) L3MBTL1ALDH1A1LMNATSHRNPSR1

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 4 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
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed