SCHEMBL6239442

SCHEMBL6239442

O=C(O)[C@H](Cc1c[nH]cn1)NCc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ NOX4 Q9NPH5 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34

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
SCHEMBL2229634 1.00 POLB (0.41) POLBMAPK1GAAHIF1ACYP2D6
SCHEMBL2980934 0.88 CPB2 (0.38) AKR1B1CPB2CPB1
SCHEMBL7345574 0.87 KDM4E (0.43) POLBGAAALDH1A1HPGDKDM4E
SCHEMBL6240988 0.86 POLB (0.38) POLBMAPK1GAAHIF1AKDM4E
SCHEMBL466340 0.85 GAA (0.40) POLBGAAALDH1A1
SCHEMBL466341 0.85 GAA (0.40) POLBGAAALDH1A1
SCHEMBL1643961 0.85 GAA (0.40) POLBGAAALDH1A1
SCHEMBL31711243 0.83 ALDH1A1 (0.46) POLBALDH1A1KDM4E
SCHEMBL28558505 0.83 CPB2 (0.38) ALDH1A1CPB2CPB1
SCHEMBL147911 0.83 CPB2 (0.38) ALDH1A1CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 — — EP claimed
EP-0629606-B1 AMINO ACID DERIVATIVE AND ANTI-ACTIVE-OXYGEN AGENT AJINOMOTO KK (JP) 1998-10-14 — — EP disclosed
US-5594012-A OXIDATION RESISTANCE AJINOMOTO CO., INC. (JP) 1997-01-14 — — US disclosed
EP-0629606-A1 AMINO ACID DERIVATIVE AND ANTI-ACTIVE-OXYGEN AGENT Ajinomoto Co., Inc. (JP) 1994-12-21 — — EP disclosed
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