SCHEMBL11580307

SCHEMBL11580307

CCCCCCCCCCCCCCOC(=O)Nc1c[c]c(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HPGD P15428 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.51
CASP1 P29466 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
MCL1 Q07820 1/20 0.51
EPHX2 P34913 1/20 0.51
TSHR P16473 1/20 0.49
FAAH O00519 6/20 0.47
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL10344809 0.83 L3MBTL1 (0.52) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL12411578 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL13329848 0.82 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL21059266 0.82 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL21049600 0.82 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7607420 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL16374745 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL10513173 0.80 ENPP2 (0.52) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL5147218 0.80 ENPP2 (0.52) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7028183 0.80 ENPP2 (0.52) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 US disclosed