Phenylalanine

Phenylalanine

SCHEMBL9218447

COC(=O)[C@H](CC(C)C)NC(C)=O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.60
▸ BIRC2 Q13490 1/20 0.57
▸ ANPEP P15144 1/20 0.57
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ CA12 O43570 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ CPB1 P15086 1/20 0.50
▸ CPA2 P48052 1/20 0.50
▸ CPA4 Q9UI42 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50

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
Phenylalanine Methyl Ester SCHEMBL9218451 0.90 LTA4H (0.67) LTA4HBIRC2ANPEPALDH1A1
SCHEMBL23106759 0.87 BIRC2 (0.65) LTA4HBIRC2ANPEPALDH1A1
SCHEMBL29046832 0.87 BIRC2 (0.65) LTA4HBIRC2ANPEPALDH1A1
SCHEMBL10443850 0.87 BIRC2 (0.65) LTA4HBIRC2ANPEPALDH1A1
SCHEMBL10443852 0.87 BIRC2 (0.65) LTA4HBIRC2ANPEPALDH1A1
Hydrochloric Acid SCHEMBL5500035 0.86 BIRC2 (0.64) LTA4HBIRC2ANPEPALDH1A1
Hydrochloric Acid SCHEMBL11594408 0.86 BIRC2 (0.64) LTA4HBIRC2ANPEPALDH1A1
Hydrochloric Acid SCHEMBL5500030 0.86 BIRC2 (0.64) LTA4HBIRC2ANPEPALDH1A1
Hydrochloric Acid SCHEMBL28611123 0.86 BIRC2 (0.64) LTA4HBIRC2ANPEPALDH1A1
Acetic Acid SCHEMBL10444079 0.86 BIRC2 (0.64) LTA4HBIRC2ANPEPALDH1A1

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-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 — — US disclosed
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