SCHEMBL9850232

SCHEMBL9850232

O=C(O)CCC(=O)Nc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SHMT2 P34897 1/20 0.55
KDM1A O60341 1/20 0.54
CYP1A1 P04798 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL2364756 0.89 GAA (0.65) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7717024 0.88 HDAC3 (0.61) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7719067 0.88 HDAC3 (0.61) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7717055 0.88 HDAC3 (0.61) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4929276 0.85 HDAC1 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL4361189 0.85 KDM1A (0.62) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3223491 0.83 KDM1A (0.60) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13416408 0.82 KDM1A (0.68) TDP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29721986 0.81 MAPK1 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL5536448 0.81 MAPK1 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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-5053325-A 2-hydrogen bond donating group-substituted benzoyl acetanilides KONICA CORPORATION (JP) 1991-10-01 US disclosed
EP-0422505-A1 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1991-04-17 EP disclosed