SCHEMBL9488665

SCHEMBL9488665

CCCC(=O)NC(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
ALDH1A1 P00352 2/20 0.57
PSMB5 P28074 1/20 0.56
TACR1 P25103 1/20 0.55
POLB P06746 3/20 0.54
ACE P12821 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
MMP8 P22894 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL9488674 1.00 TP53 (0.59) TP53ALDH1A1PSMB5TACR1POLB
SCHEMBL23169896 0.90 ALDH1A1 (0.62) TP53ALDH1A1TACR1POLBACE
SCHEMBL9487603 0.90 POLB (0.67) ALDH1A1PSMB5POLBHDAC1HDAC6
SCHEMBL9487610 0.90 POLB (0.67) ALDH1A1PSMB5POLBHDAC1HDAC6
SCHEMBL9487298 0.88 TP53 (0.61) TP53ALDH1A1PSMB5TACR1POLB
SCHEMBL9487303 0.88 TP53 (0.61) TP53ALDH1A1PSMB5TACR1POLB
SCHEMBL9146870 0.87 TP53 (0.60) TP53ALDH1A1TACR1POLBMMP8
SCHEMBL9385728 0.87 TP53 (0.60) TP53ALDH1A1TACR1POLBMMP8
SCHEMBL9385733 0.87 TP53 (0.60) TP53ALDH1A1TACR1POLBMMP8
SCHEMBL9146866 0.87 TP53 (0.60) TP53ALDH1A1TACR1POLBMMP8

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