SCHEMBL10790802

SCHEMBL10790802

C#CC(C)=NOC(C)COc1ccc(OC(C)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
ACACA Q13085 1/20 0.36
POLB P06746 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL10790798 1.00 ACACB (0.39) ACACBACACAPOLBMAPTLMNA
SCHEMBL10794831 0.85 ACACB (0.40) ACACBACACAPOLBMAPTLMNA
SCHEMBL10790098 0.82 ACACB (0.39) ACACBACACAPOLBMAPTLMNA
SCHEMBL10790091 0.82 ACACB (0.39) ACACBACACAPOLBMAPTLMNA
SCHEMBL10794249 0.81 ACACB (0.37) ACACBACACAPOLBMAPTLMNA
SCHEMBL10791226 0.80 ACACB (0.38) ACACBACACAPOLBMAPTLMNA
SCHEMBL10791230 0.80 ACACB (0.38) ACACBACACAPOLBMAPTLMNA
SCHEMBL10789689 0.78 MAPT (0.43) ACACBPOLBMAPTLMNAMTNR1A
SCHEMBL10794913 0.77 ACACB (0.35) ACACBACACAMAPTLMNAKMT2A
SCHEMBL10793781 0.76 MAPT (0.50) ACACBPOLBMAPTLMNASMN1; SMN2

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-4647698-A Novel compositions SANDOZ LTD. (US) 1987-03-03 US disclosed