SCHEMBL13804934

SCHEMBL13804934

CC(C)C[C@H](NC(=O)[C@H](CCCN/C(N)=N/[N+](=O)[O-])NCc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.39
▸ ACE P12821 1/20 0.39
▸ NPY4R P50391 8/20 0.39
▸ KLKB1 P03952 1/20 0.37
▸ NPY1R P25929 5/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ NPY2R P49146 3/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL13805250 0.95 KISS1R (0.41) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL13804935 0.90 ANPEP (0.44) KISS1RNPY4RNPY1RALDH1A1LMNA
SCHEMBL13804931 0.85 ANPEP (0.44) KISS1RNPY4RNPY1RNPY2RNPY5R
Trifluoroacetic Acid SCHEMBL8114483 0.76 CHIT1 (0.38) KLKB1NPY1R
SCHEMBL8120727 0.75 F2 (0.39) NPY4RNPY1R
SCHEMBL8119098 0.74 NPC1 (0.38) KLKB1ALDH1A1
Trifluoroacetic Acid SCHEMBL8111954 0.73 F2 (0.35) KISS1RNPY4RNPY1RLMNA
SCHEMBL8119391 0.71 NPY1R (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL8114868 0.71 MC4R (0.37) KISS1RNPY1R
SCHEMBL8119124 0.71 F2 (0.36) KISS1RNPY1REPHX2

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
Send feedback