SCHEMBL14831956

SCHEMBL14831956

CC(=O)ON[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.38
▸ C3AR1 Q16581 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ NPY4R P50391 9/20 0.34
▸ NPY1R P25929 5/20 0.34
▸ NPY2R P49146 3/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GNPAT O15228 1/20 0.31

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
SCHEMBL27810936 0.86 C3AR1 (0.37) FOLH1C3AR1MEN1KMT2AGAA
SCHEMBL30500518 0.82 GNPAT (0.39) FOLH1C3AR1ALOX15GNPAT
SCHEMBL27917941 0.82 MEN1 (0.43) FOLH1C3AR1MEN1KMT2AGAA
SCHEMBL27917943 0.82 MEN1 (0.43) FOLH1C3AR1MEN1KMT2AGAA
SCHEMBL468901 0.81 FOLH1 (0.49) FOLH1C3AR1NPY4RNPY1RNPY2R
Acetic Acid SCHEMBL2170653 0.81 FOLH1 (0.39) FOLH1C3AR1MEN1KMT2AGAA
Acetic Acid SCHEMBL2304560 0.81 FOLH1 (0.39) FOLH1C3AR1MEN1KMT2AGAA
SCHEMBL8678705 0.81 FOLH1 (0.46) FOLH1C3AR1ITGB3ITGA2BNPY4R
Acetic Acid SCHEMBL160844 0.81 FOLH1 (0.39) FOLH1C3AR1MEN1KMT2AGAA
SCHEMBL6026003 0.81 FOLH1 (0.49) FOLH1C3AR1NPY4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073757-B Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor 莱雅公司 2019-12-17 — — CN disclosed
WO-2014154871-A1 DYEING PROCESS USING AN IRIDOID COMPOUND AND DEVICES FOR THE SAME L'OREAL (FR) 2014-10-02 — — WO disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045704-A2 DYE COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
WO-2013045703-A1 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 — — WO disclosed
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