SCHEMBL28035872

SCHEMBL28035872

NC(Cc1ccc(O)cc1)C(=O)NCCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
MMP2 P08253 1/20 0.51
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
SLC15A1 P46059 1/20 0.50
MMEL1 Q495T6 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
ERAP2 Q6P179 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49
YARS1 P54577 1/20 0.49

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
SCHEMBL16116048 1.00 SLC7A5 (0.58) SLC7A5MMP2MMEACESLC15A1
SCHEMBL7877012 0.91 SLC7A5 (0.55) SLC7A5MMP2SLC15A1
SCHEMBL5498833 0.88 SLC15A1 (0.66) SLC7A5MMEACESLC15A1MMEL1
SCHEMBL5498835 0.88 SLC15A1 (0.66) SLC7A5MMEACESLC15A1MMEL1
Hydrochloric Acid SCHEMBL6299983 0.84 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL21919162 0.84 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL7377689 0.84 SLC7A5 (0.57) SLC7A5MMP2HDAC8ERAP2LNPEP
SCHEMBL20865641 0.84 HDAC8 (0.64) SLC7A5MMP2HDAC8
SCHEMBL7377691 0.84 SLC7A5 (0.57) SLC7A5MMP2HDAC8ERAP2LNPEP
SCHEMBL4407092 0.84 SLC7A5 (0.62) SLC7A5MMP2ERAP2LNPEPYARS1

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
CN-105101947-A Dyeing method using iridoid compound and apparatus therefor OREAL 2015-11-25 CN disclosed
CN-105073723-A Compounds derived from protected or unprotected iridoids, compositions comprising same, use as dyes for keratin fibres and devices OREAL 2015-11-18 CN disclosed
CN-105073757-A Dyeing method using a hair-dyeing precursor obtained from iridoids, composition, precursor and device including same OREAL 2015-11-18 CN disclosed