SCHEMBL9493003

SCHEMBL9493003

C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.51
ALDH1A1 P00352 1/20 0.49
ACE P12821 1/20 0.49
POLB P06746 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
FAAH O00519 2/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
TACR1 P25103 1/20 0.47
PARP1 P09874 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
TP53 P04637 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
SCHEMBL9492999 1.00 PSMB5 (0.51) PSMB5ALDH1A1ACEPOLBCHRNB2
SCHEMBL9492365 0.93 FAAH (0.55) PSMB5ALDH1A1ACEPOLBFAAH
SCHEMBL9492370 0.93 FAAH (0.55) PSMB5ALDH1A1ACEPOLBFAAH
SCHEMBL9493900 0.92 FAAH (0.59) PSMB5FAAHHDAC1HDAC6
SCHEMBL9493898 0.92 FAAH (0.59) PSMB5FAAHHDAC1HDAC6
SCHEMBL9493061 0.90 ALDH1A1 (0.51) PSMB5ALDH1A1ACEPOLBTACR1
SCHEMBL9493066 0.90 ALDH1A1 (0.51) PSMB5ALDH1A1ACEPOLBTACR1
SCHEMBL9488665 0.85 TP53 (0.59) PSMB5ALDH1A1ACEPOLBCHRNB2
SCHEMBL9488674 0.85 TP53 (0.59) PSMB5ALDH1A1ACEPOLBCHRNB2
SCHEMBL9492544 0.85 ALDH1A1 (0.51) ALDH1A1ACEPOLBTACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP disclosed