SCHEMBL13804935

SCHEMBL13804935

COc1ccc(CN[C@@H](CCCN/C(N)=N/[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.44
▸ KISS1R Q969F8 4/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MMP1 P03956 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ BMP1 P13497 3/20 0.40
▸ NPY4R P50391 2/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL13804931 0.95 ANPEP (0.44) ANPEPKISS1RMMP1MMP3NPY4R
SCHEMBL13804934 0.90 KISS1R (0.39) KISS1RNPY4RNPY1RALDH1A1LMNA
SCHEMBL13805250 0.85 KISS1R (0.41) KISS1RNPY4RNPY1R
SCHEMBL8119098 0.77 NPC1 (0.38) ALDH1A1
SCHEMBL8122121 0.76 HDAC1 (0.48) BMP1NPY1RALDH1A1
SCHEMBL7037362 0.76 NPY1R (0.50) NPY4RNPY1RGAA
SCHEMBL8119391 0.74 NPY1R (0.43) NPY4RNPY1R
SCHEMBL8114868 0.74 MC4R (0.37) KISS1RNPY1R
SCHEMBL24446771 0.74 ANPEP (0.59) ANPEPATMMMP1MMP3ALDH1A1
Trifluoroacetic Acid SCHEMBL8114483 0.73 CHIT1 (0.38) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524962-B1 COMPOSITIONS AND METHODS FOR DARKENING THE SKIN JOHNSON & JOHNSON CONSUMER (US) 2009-06-03 — — EP disclosed
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