SCHEMBL7715544

SCHEMBL7715544

O=C(Cl)OCOC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3B P49841 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL8448417 0.92 ESR1 (0.45) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL393791 0.83 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL394866 0.83 TDP1 (0.52) GAAALDH1A1KMT2AMAPTNPSR1
SCHEMBL5210552 0.82 TDP1 (0.57) GAAALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL395809 0.80 KDM4E (0.58) ALDH1A1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL395527 0.80 CA1 (0.56) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL811579 0.79 GAA (0.66) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL394881 0.79 CA1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL10376725 0.78 GSK3B (0.57) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL8680201 0.78 GAA (0.54) GAAALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed