SCHEMBL5794078

SCHEMBL5794078

CCOC(=O)/C=C(\C(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9501377 0.84 ELANE (0.42) MAPTGAATRPV1HPGDKMT2A
SCHEMBL5094293 0.84 MAPT (0.49) MAPTGAATRPV1KMT2AMEN1
SCHEMBL5094297 0.84 MAPT (0.49) MAPTGAATRPV1KMT2AMEN1
SCHEMBL5793944 0.83 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9726821 0.83 MAPT (0.47) MAPTGAAKMT2AMEN1LMNA
SCHEMBL5796665 0.83 TSHR (0.47) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL12596917 0.81 LMNA (0.45) MAPTGAATRPV1HPGDKMT2A
SCHEMBL31749890 0.80 PARP1 (0.50) MAPTGAATRPV1HPGDKMT2A
SCHEMBL7682829 0.80 PARP1 (0.50) MAPTGAATRPV1HPGDKMT2A
SCHEMBL7682832 0.80 PARP1 (0.50) MAPTGAATRPV1HPGDKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 WO disclosed