SCHEMBL9150246

SCHEMBL9150246

CCCCOC(=O)Nc1ccc(C(=O)O)c(O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CSNK2A2 P19784 1/20 0.42

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
SCHEMBL6389043 0.82 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL27685659 0.78 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL8657836 0.78 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL7554895 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11524084 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL8108517 0.77 PLK1 (0.63) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1592343 0.77 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1592326 0.77 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1592347 0.77 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1592315 0.77 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed