SCHEMBL11245798

SCHEMBL11245798

O=C(OCCCl)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.47
ESR1 P03372 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL11233009 0.92 TDP1 (0.54) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL811579 0.90 GAA (0.66) GAAGSK3BALDH1A1MEN1KMT2A
SCHEMBL811573 0.86 GAA (0.72) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL811557 0.84 GAA (0.70) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL11058127 0.84 ESR1 (0.67) ALDH1A1MEN1KMT2ATSHRESR1
SCHEMBL8679315 0.83 GAA (0.54) GAAGSK3BALDH1A1MEN1KMT2A
SCHEMBL11358502 0.82 GAA (0.63) GAAGSK3BALDH1A1MEN1KMT2A
SCHEMBL28152538 0.82 HPGD (0.53) GSK3BALDH1A1MEN1KMT2ATSHR
SCHEMBL197459 0.82 ALDH1A1 (0.70) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL28152536 0.82 TDP1 (0.53) GAAALDH1A1KMT2ATSHRESR1

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
US-4356295-A COORDINATION CATALYSTS MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1982-10-26 US disclosed