SCHEMBL28044667

SCHEMBL28044667

NCCCC[C@H](N)C(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
DPP7 Q9UHL4 14/20 0.46
DPP9 Q86TI2 6/20 0.46
DPP8 Q6V1X1 6/20 0.46
DPP4 P27487 6/20 0.43
FAP Q12884 1/20 0.40
TBXAS1 P24557 2/20 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
SCHEMBL424444 0.78 ALDH1A1 (0.37) TBXAS1
SCHEMBL7396926 0.77 L3MBTL1 (0.35)
Lysine SCHEMBL27879126 0.76 GSR (0.57) GSRTBXAS1
SCHEMBL27898124 0.76 TDP1 (0.41) GSRDPP7DPP9DPP8DPP4
SCHEMBL4182495 0.73 EGLN3 (0.38) TBXAS1
SCHEMBL27716034 0.72 DPP7 (0.47) GSRDPP7DPP9DPP8DPP4
SCHEMBL8532374 0.72 SMYD3 (0.38) TBXAS1
SCHEMBL11599993 0.72 SMYD3 (0.38) TBXAS1
SCHEMBL10421135 0.70 PAOX (0.43)
SCHEMBL13092445 0.70 TBXAS1 (0.44) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107896486-A Method for improving hair quality by improving scalp health 宝洁公司 2018-04-10 CN disclosed
CN-105190309-A Non-invasive method for measuring oxidative stress and oxidative damage from skin biomarkers PROCTER & GAMBLE 2015-12-23 CN disclosed