SCHEMBL15080943

SCHEMBL15080943

COC(=O)[C@@H](N)Cc1ccc(C(=O)C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LNPEP Q9UIQ6 5/20 0.42
ERAP2 Q6P179 4/20 0.42
ERAP1 Q9NZ08 1/20 0.42
TPH1 P17752 1/20 0.42
PTGS2 P35354 1/20 0.41
SLC7A5 Q01650 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL15080987 0.87 KMT2A (0.50) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL7333309 0.87 KMT2A (0.50) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL15080941 0.86 ALDH1A1 (0.48) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL15080989 0.86 ALDH1A1 (0.45) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL15019650 0.85 LOXL2 (0.59) ALDH1A1LNPEPERAP2SLC7A5LOXL2
SCHEMBL15019652 0.85 LOXL2 (0.59) ALDH1A1LNPEPERAP2SLC7A5LOXL2
Hydrochloric Acid SCHEMBL30947772 0.85 ALDH1A1 (0.52) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL18067861 0.85 ALDH1A1 (0.49) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL2059174 0.85 ANPEP (0.54) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL2059172 0.85 ANPEP (0.54) ALDH1A1ESR1ESR2LNPEPERAP2

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-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed