SCHEMBL8715008

SCHEMBL8715008

CC(CCOc1ccc(Cc2cccs2)cc1)NCCC(=O)NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.49
POLB P06746 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL5684514 0.86 LTA4H (0.62) LTA4HPOLBNPC1RAB9AMAPT
SCHEMBL8710875 0.81 LTA4H (0.49) LTA4HPOLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8107928 0.80 LTA4H (0.58) LTA4HPOLBNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL8711512 0.80 LTA4H (0.49) LTA4HPOLBNPC1RAB9AALDH1A1
SCHEMBL8107892 0.79 LTA4H (0.76) LTA4HPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL8107931 0.77 LTA4H (0.58) LTA4HPOLBNPC1RAB9AMAPT
SCHEMBL8107445 0.71 LTA4H (0.62) LTA4HPOLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8107416 0.70 LTA4H (0.61) LTA4HPOLBNPC1RAB9AALDH1A1
SCHEMBL8765739 0.68 LTA4H (0.69) LTA4HL3MBTL1
SCHEMBL8641130 0.68 LTA4H (0.56) LTA4HPOLBNPC1RAB9AMAPT

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
WO-1998040354-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO claimed
WO-1998040354-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed