SCHEMBL8998044

SCHEMBL8998044

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 6/20 0.33
CUL4A Q13619 1/20 0.33
RORC P51449 1/20 0.33
PPOX P50336 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
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
SCHEMBL8998049 1.00 ALDH1A1 (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998088 0.91 LMNA (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998090 0.91 LMNA (0.34) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8998061 0.89 ALDH1A1 (0.35) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9836639 0.84 DHODH (0.39) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9407131 0.82 ALDH1A1 (0.48) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9868327 0.81 ALDH1A1 (0.40) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL8083816 0.80 ALDH1A1 (0.46) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL9835551 0.80 DHODH (0.38) LMNATSHRNPSR1L3MBTL1DHODH
SCHEMBL8998070 0.79 L3MBTL1 (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 3 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
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed