SCHEMBL11073456

SCHEMBL11073456

CC(=O)NC(C[O])CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KISS1R Q969F8 3/20 0.37
CRAT P43155 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G10 O15496 2/20 0.34
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL28499674 1.00 ALDH1A1 (0.52) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL14294441 0.82 ALDH1A1 (0.52) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL11073459 0.82 ALDH1A1 (0.52) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL18403738 0.80 ALDH1A1 (0.50) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL20662884 0.78 ALDH1A1 (0.48) ALDH1A1KISS1RPLA2G10
SCHEMBL7731861 0.78 ALDH1A1 (0.53) ALDH1A1CRATMEN1LMNAKMT2A
SCHEMBL27905207 0.78 ALDH1A1 (0.48) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL23116550 0.77 ALDH1A1 (0.47) ALDH1A1KISS1RCRATMEN1LMNA
SCHEMBL20144715 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL23116551 0.77 ALDH1A1 (0.47) ALDH1A1KISS1RCRATMEN1LMNA

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-4439438-A ANTIDEPRESSANTS, INOTROPIC AGENTS CAVAZZA CLAUDIO (IT) 1984-03-27 US claimed
US-4439438-A ANTIDEPRESSANTS, INOTROPIC AGENTS CAVAZZA CLAUDIO (IT) 1984-03-27 US disclosed