SCHEMBL9811200

SCHEMBL9811200

CCCCCCCCCCC(CO)(C(=O)O)C(CCCCCCCCCC)(Sc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 2/20 0.41
APEX1 P27695 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
ALOX5 P09917 2/20 0.39
FBP1 P09467 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9811127 0.89 PTGS2 (0.43) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL9811083 0.80 PPARA (0.44) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL7071737 0.79 MAPT (0.45) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL11019105 0.75 MAPT (0.46) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL9811130 0.73 MAPT (0.42) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL29672415 0.72 MAPT (0.50) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL10764666 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL28565001 0.71 MAPT (0.55) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL9811028 0.71 MAPT (0.47) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL10762796 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTPOLBALDH1A1

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
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed