SCHEMBL12029164

SCHEMBL12029164

CCCCC(=O)C(C)C(=O)c1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 2/20 0.48
▸ SLC7A5 Q01650 5/20 0.48
▸ PTGS1 P23219 3/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ LTA4H P09960 1/20 0.43
▸ GRB2 P62993 1/20 0.42
▸ HIF1A Q16665 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL8237673 0.86 SLC7A5 (0.53) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL12337990 0.83 SLC7A5 (0.59) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL29589017 0.78 CES2 (0.54) KDM4ETDP1HTR2APTGS2RECQL
SCHEMBL8234613 0.77 SLC7A5 (0.51) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL13703211 0.77 SLC7A5 (0.51) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL2779653 0.75 SLC7A5 (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL6771201 0.75 SLC7A5 (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL2779651 0.75 SLC7A5 (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL13515476 0.74 LTA4H (0.73) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1993787 0.74 SLC7A5 (0.59) TPH1SLC7A5PTGS1ALPIPKM

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
EP-2399893-A2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Ambrx, Inc. (US) 2011-12-28 — — EP disclosed
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