SCHEMBL15314366

SCHEMBL15314366

Nc1ccc2cc(C[C@H](N)C(=O)O)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 3/20 0.47
HSD17B10 Q99714 2/20 0.46
SLC7A5 Q01650 4/20 0.45
PTGS1 P23219 3/20 0.45
PKM P14618 2/20 0.45
ALPI P09923 1/20 0.45
XIAP P98170 1/20 0.45
ALOX15 P16050 3/20 0.43
HIF1A Q16665 3/20 0.43
EGFR P00533 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
PTPN1 P18031 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
SCHEMBL14780598 0.84 ALDH1A1 (0.40) TPH1EGFRALDH1A1MEN1LMNA
SCHEMBL8208523 0.83 TPH1 (0.62) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL287073 0.83 TPH1 (0.62) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL31614353 0.83 TPH1 (0.62) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL30969128 0.83 TPH1 (0.62) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL287095 0.83 TPH1 (0.62) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL14780599 0.79 SLC7A5 (0.58) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL8884067 0.78 SLC7A5 (0.54) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL8884063 0.78 SLC7A5 (0.54) TPH1HSD17B10SLC7A5PTGS1PKM
SCHEMBL3576640 0.76 EGFR (0.49) HSD17B10PTGS1EGFRKDM4EADORA3

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-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed