SCHEMBL4626477

SCHEMBL4626477

CC(C)(C)OC(=O)N1C(=O)[C@@H](Cc2c[nH]c3ccccc23)C[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CYP2C19 P33261 1/20 0.44
DNMT1 P26358 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TACR1 P25103 1/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
IDO1 P14902 1/20 0.41
RIPK1 Q13546 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5634443 0.90 POLB (0.51) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL31486428 0.81 KLK7 (0.49) KMT2AMEN1
SCHEMBL5065670 0.81 KLK7 (0.49) KMT2AMEN1
SCHEMBL8669568 0.81 KLK7 (0.49) KMT2AMEN1
SCHEMBL823090 0.79 POLB (0.55) POLBDNMT1MAPTKMT2AKDM4E
SCHEMBL817748 0.79 POLB (0.55) POLBDNMT1MAPTKMT2AKDM4E
SCHEMBL7699900 0.77 KLK7 (0.43) KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL823096 0.75 POLB (0.55) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL22482842 0.75 POLB (0.52) POLBDNMT1MAPTKMT2AKDM4E
SCHEMBL818231 0.75 POLB (0.55) POLBMAPTKMT2AKDM4EALDH1A1

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
EP-1529776-B1 Amino acid derivatives and sweetening agent AJINOMOTO KK (JP) 2008-03-05 EP disclosed
EP-1529776-A2 Amino acid derivatives and sweetening agent Ajinomoto Co., Inc. (JP) 2005-05-11 EP disclosed