SCHEMBL10460552

SCHEMBL10460552

N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 4/20 0.49
▸ ALPI P09923 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ PTPN1 P18031 2/20 0.47
▸ MAOB P27338 2/20 0.46
▸ SLC1A5 Q15758 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ SLC15A1 P46059 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL10460553 1.00 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7623712 0.86 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29682444 0.86 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9117821 0.86 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11664676 0.86 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11227875 0.85 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7024349 0.85 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4410810 0.80 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12987208 0.79 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12987202 0.79 SLC7A5 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 — — US claimed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 — — US disclosed
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