SCHEMBL8018554

SCHEMBL8018554

CON=C(C(=O)O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
POLB P06746 3/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL8018552 1.00 ALDH1A1 (0.50) ALDH1A1CES2CES1SMN1; SMN2L3MBTL1
SCHEMBL27208792 0.84 AKR1B1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1HPGDRAB9A
SCHEMBL6581523 0.81 LMNA (0.52) ALDH1A1SMN1; SMN2HPGDNPC1GAA
SCHEMBL8018305 0.81 LMNA (0.52) ALDH1A1SMN1; SMN2HPGDNPC1GAA
SCHEMBL9022614 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2HPGDGAAPOLB
SCHEMBL28365483 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3691371 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3688001 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6581520 0.81 LMNA (0.52) ALDH1A1SMN1; SMN2HPGDNPC1GAA
SCHEMBL29883665 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1

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
CN-1058011-C 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-11-01 CN disclosed
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
CN-1112119-A 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 1995-11-22 CN disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed