SCHEMBL8698405

SCHEMBL8698405

CC(C)(C)OC(=O)NC(C(=O)O)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
CTSL P07711 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
ACE P12821 2/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL9034647 0.89 CTSL (0.38) HRH3CTSLSMN1; SMN2CTSBCTSK
SCHEMBL9033091 0.83 CTSL (0.46) HRH3CTSLSMN1; SMN2CTSBCTSK
SCHEMBL9033818 0.82 CTSL (0.45) CTSLSMN1; SMN2CTSBCTSKMAPT
SCHEMBL9032671 0.79 HRH3 (0.42) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9033916 0.78 HRH3 (0.40) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9034695 0.77 CTSL (0.34) CTSLCTSKKDM4EALDH1A1MAPT
SCHEMBL9031818 0.75 CTSL (0.44) CTSLSMN1; SMN2CTSBCTSKACHE
SCHEMBL9032268 0.74 HRH3 (0.46) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9032167 0.74 HRH3 (0.44) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9034551 0.74 HRH3 (0.39) HRH3SMN1; SMN2KDM4EALDH1A1MAPT

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
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed