SCHEMBL14780576

SCHEMBL14780576

Nc1c(Cl)cc(C[C@H](N)C(=O)O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.53
PTGS1 P23219 2/20 0.53
PKM P14618 2/20 0.53
ALPI P09923 1/20 0.53
XIAP P98170 1/20 0.53
GRIA2 P42262 1/20 0.51
HSD17B10 Q99714 4/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 2/20 0.50
HIF1A Q16665 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.47

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
SCHEMBL4800217 0.89 SIRT5 (0.55) GRIA2HSD17B10ALOX15USP2ADORA3
SCHEMBL4800520 0.89 SLC7A5 (0.47) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL4800230 0.89 SIRT5 (0.55) GRIA2HSD17B10ALOX15USP2ADORA3
SCHEMBL4800531 0.89 SLC7A5 (0.47) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL31369759 0.87 GRIA2 (0.59) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2121998 0.85 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2122000 0.85 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL31083609 0.85 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL3309849 0.85 GRB2 (0.44) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL3309854 0.85 GRB2 (0.44) SLC7A5PTGS1PKMALPIXIAP

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-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed