SCHEMBL7304880

SCHEMBL7304880

CC(C)C[C@H](N)[C@@H](O)[C@@H](O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ANPEP P15144 6/20 0.39
DNPEP Q9ULA0 1/20 0.38
SLC7A5 Q01650 1/20 0.37
LAP3 P28838 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
TRPA1 O75762 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7352795 0.86 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL12187263 0.85 ALDH1A1 (0.38) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL14750440 0.85 CYP2D6 (0.38) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL10893754 0.83 TSHR (0.45) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL1132299 0.81 TSHR (0.43) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL9818536 0.81 TSHR (0.43) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL89067 0.81 TSHR (0.43) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL56555 0.81 TSHR (0.43) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL12346197 0.80 LMNA (0.39) TSHRALDH1A1MAPK1ANPEPSLC7A5
Hydrochloric Acid SCHEMBL7269763 0.77 GMNN (0.38) TSHRALDH1A1MAPK1ANPEPDNPEP

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-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed