SCHEMBL8998065

SCHEMBL8998065

C=C([CH]C(=O)OCC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
PTGS2 P35354 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 2/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL8896068 0.82 MAPT (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7432481 0.76 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7432476 0.76 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1
Benzoic Acid SCHEMBL28932601 0.76 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1070286 0.75 MEN1 (0.53) MAPTALDH1A1MEN1KMT2ANPC1
Diethyl Maleate SCHEMBL11324124 0.75 MAPT (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL14186862 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2ANPC1
Benzoic Acid SCHEMBL28164446 0.75 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL20109337 0.75 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9751109 0.74 MAPT (0.72) MAPTALDH1A1MEN1KMT2ANPC1

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