SCHEMBL9833212

SCHEMBL9833212

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.40
DNPEP Q9ULA0 2/20 0.40
BHMT Q93088 2/20 0.34
BHMT2 Q9H2M3 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
GBA1 P04062 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
TRPA1 O75762 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7441410 0.81 ANPEP (0.46) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL7281691 0.81 ANPEP (0.46) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL7362253 0.79 CYP1A2 (0.45) ANPEPDNPEPCYP2D6RNPEP
Hydrochloric Acid SCHEMBL7441882 0.79 ANPEP (0.44) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL29322832 0.74 TRPV1 (0.41) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL19724156 0.74 CYP2D6 (0.42) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL7378006 0.74 ALDH1A1 (0.43) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL29322856 0.74 CYP2D6 (0.42) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL10893754 0.73 TSHR (0.45) ANPEPDNPEPTSHRALDH1A1MAPK1
SCHEMBL1114588 0.72 CTSL (0.42) BHMTBHMT2GBA1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed