SCHEMBL11227875

SCHEMBL11227875

N[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 4/20 0.61
▸ ALPI P09923 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ XIAP P98170 1/20 0.61
▸ LTA4H P09960 4/20 0.52
▸ SLC15A1 P46059 1/20 0.52
▸ LAP3 P28838 1/20 0.52
▸ PTPN1 P18031 2/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SLC1A3 P43003 3/20 0.47
▸ SLC1A2 P43004 3/20 0.47
▸ SLC1A1 P43005 3/20 0.47
▸ PPARG P37231 1/20 0.46

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
SCHEMBL7024349 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4410810 0.87 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1003560 0.85 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL5699042 0.85 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL5608077 0.85 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10460552 0.85 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9117821 0.85 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10460553 0.85 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7623712 0.85 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29682444 0.85 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP

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-4317770-A WITH IMPROVED IN-VIVO ANAGESIC ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1982-03-02 — — US disclosed
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