SCHEMBL8234611

SCHEMBL8234611

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 7/20 0.49
▸ SLC7A5 Q01650 7/20 0.49
▸ PTGS1 P23219 3/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ PTPN1 P18031 1/20 0.43
▸ GRB2 P62993 1/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL13703211 0.86 SLC7A5 (0.51) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL12143585 0.86 SLC7A5 (0.54) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL15905971 0.82 SLC7A5 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL15905942 0.82 SLC7A5 (0.53) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL6776885 0.78 SLC7A5 (0.68) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL1768600 0.78 SLC7A5 (0.68) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL1768596 0.78 SLC7A5 (0.68) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL17655684 0.78 SLC7A5 (0.62) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL5320089 0.77 SLC7A5 (0.57) TPH1SLC7A5PTGS1ALPIPKM
Dl-Phenylalanine SCHEMBL28326797 0.76 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP

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
WO-2007079130-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2007-07-12 — — WO disclosed
Send feedback